 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer02_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-183964.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    183976.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 19:06:55 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 19:06:55 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 19:06:56 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0212070390 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.3869512246 Hartrees.
 Leave Link  301 at Tue Aug 17 19:06:56 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.34D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 19:06:57 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 19:06:57 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 19:06:58 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.836952630839    
 DIIS: error= 3.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.836952630839     IErMin= 1 ErrMin= 3.82D-03
 ErrMax= 3.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.97D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 GapD=    0.302 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.69D-03 MaxDP=3.78D-01              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.59D-03    CP:  9.58D-01
 E= -766.852774496617     Delta-E=       -0.015821865778 Rises=F Damp=F
 DIIS: error= 5.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.852774496617     IErMin= 2 ErrMin= 5.96D-04
 ErrMax= 5.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-04 BMatP= 1.97D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.96D-03
 Coeff-Com:  0.729D-04 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.725D-04 0.100D+01
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.23D-03 MaxDP=5.36D-02 DE=-1.58D-02 OVMax= 8.11D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.06D-04    CP:  9.76D-01  1.09D+00
 E= -766.853304419501     Delta-E=       -0.000529922884 Rises=F Damp=F
 DIIS: error= 6.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.853304419501     IErMin= 2 ErrMin= 5.96D-04
 ErrMax= 6.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-04 BMatP= 6.72D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.52D-03
 Coeff-Com: -0.453D-01 0.489D+00 0.557D+00
 Coeff-En:   0.000D+00 0.979D-01 0.902D+00
 Coeff:     -0.450D-01 0.486D+00 0.559D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.43D-04 MaxDP=5.36D-03 DE=-5.30D-04 OVMax= 2.93D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  9.77D-01  1.09D+00  1.05D+00
 E= -766.853697025471     Delta-E=       -0.000392605970 Rises=F Damp=F
 DIIS: error= 9.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.853697025471     IErMin= 4 ErrMin= 9.26D-05
 ErrMax= 9.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-05 BMatP= 5.74D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-01 0.923D-01 0.182D+00 0.741D+00
 Coeff:     -0.156D-01 0.923D-01 0.182D+00 0.741D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=7.45D-05 MaxDP=2.96D-03 DE=-3.93D-04 OVMax= 1.01D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.86D-05    CP:  9.76D-01  1.09D+00  1.09D+00  1.13D+00
 E= -766.853716261959     Delta-E=       -0.000019236488 Rises=F Damp=F
 DIIS: error= 3.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.853716261959     IErMin= 5 ErrMin= 3.77D-05
 ErrMax= 3.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 1.97D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-02-0.342D-01-0.272D-01 0.237D+00 0.824D+00
 Coeff:      0.102D-02-0.342D-01-0.272D-01 0.237D+00 0.824D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=1.08D-03 DE=-1.92D-05 OVMax= 6.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  9.76D-01  1.09D+00  1.11D+00  1.17D+00  9.64D-01
 E= -766.853719513100     Delta-E=       -0.000003251141 Rises=F Damp=F
 DIIS: error= 1.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.853719513100     IErMin= 6 ErrMin= 1.14D-05
 ErrMax= 1.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-07 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-02-0.193D-01-0.214D-01 0.587D-01 0.341D+00 0.640D+00
 Coeff:      0.129D-02-0.193D-01-0.214D-01 0.587D-01 0.341D+00 0.640D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=6.33D-06 MaxDP=3.12D-04 DE=-3.25D-06 OVMax= 2.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.09D-06    CP:  9.76D-01  1.09D+00  1.11D+00  1.17D+00  1.00D+00
                    CP:  9.62D-01
 E= -766.853719848601     Delta-E=       -0.000000335501 Rises=F Damp=F
 DIIS: error= 5.74D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.853719848601     IErMin= 7 ErrMin= 5.74D-06
 ErrMax= 5.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-08 BMatP= 2.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.376D-03-0.229D-02-0.426D-02-0.176D-01-0.366D-02 0.266D+00
 Coeff-Com:  0.762D+00
 Coeff:      0.376D-03-0.229D-02-0.426D-02-0.176D-01-0.366D-02 0.266D+00
 Coeff:      0.762D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.24D-06 MaxDP=1.28D-04 DE=-3.36D-07 OVMax= 1.23D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.24D-06    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  9.96D-01  1.27D+00
 E= -766.853719934327     Delta-E=       -0.000000085726 Rises=F Damp=F
 DIIS: error= 2.76D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.853719934327     IErMin= 8 ErrMin= 2.76D-06
 ErrMax= 2.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.15D-09 BMatP= 4.92D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.773D-04 0.240D-02 0.237D-02-0.151D-01-0.573D-01-0.373D-01
 Coeff-Com:  0.245D+00 0.860D+00
 Coeff:     -0.773D-04 0.240D-02 0.237D-02-0.151D-01-0.573D-01-0.373D-01
 Coeff:      0.245D+00 0.860D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=4.91D-05 DE=-8.57D-08 OVMax= 6.94D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.02D-07    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.33D+00  1.25D+00
 E= -766.853719949886     Delta-E=       -0.000000015559 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.853719949886     IErMin= 9 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-09 BMatP= 7.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.912D-04 0.145D-02 0.178D-02-0.445D-02-0.259D-01-0.622D-01
 Coeff-Com:  0.378D-03 0.431D+00 0.658D+00
 Coeff:     -0.912D-04 0.145D-02 0.178D-02-0.445D-02-0.259D-01-0.622D-01
 Coeff:      0.378D-03 0.431D+00 0.658D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=4.69D-07 MaxDP=1.60D-05 DE=-1.56D-08 OVMax= 2.67D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.37D+00  1.25D+00  1.16D+00
 E= -766.853719952766     Delta-E=       -0.000000002881 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.853719952766     IErMin=10 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 1.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04 0.125D-03 0.223D-03 0.622D-03-0.900D-04-0.133D-01
 Coeff-Com: -0.318D-01 0.889D-02 0.157D+00 0.878D+00
 Coeff:     -0.186D-04 0.125D-03 0.223D-03 0.622D-03-0.900D-04-0.133D-01
 Coeff:     -0.318D-01 0.889D-02 0.157D+00 0.878D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=5.35D-06 DE=-2.88D-09 OVMax= 1.04D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.38D+00  1.30D+00  1.22D+00  1.04D+00
 E= -766.853719952927     Delta-E=       -0.000000000161 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.853719952927     IErMin=11 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.884D-05-0.212D-03-0.232D-03 0.109D-02 0.466D-02 0.490D-02
 Coeff-Com: -0.145D-01-0.680D-01-0.491D-01 0.395D+00 0.727D+00
 Coeff:      0.884D-05-0.212D-03-0.232D-03 0.109D-02 0.466D-02 0.490D-02
 Coeff:     -0.145D-01-0.680D-01-0.491D-01 0.395D+00 0.727D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=7.89D-08 MaxDP=3.28D-06 DE=-1.61D-10 OVMax= 3.39D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.58D-08    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.38D+00  1.30D+00  1.26D+00  1.13D+00
                    CP:  9.95D-01
 E= -766.853719953002     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 4.01D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.853719953002     IErMin=12 ErrMin= 4.01D-08
 ErrMax= 4.01D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-12 BMatP= 3.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.447D-05-0.752D-04-0.900D-04 0.252D-03 0.135D-02 0.292D-02
 Coeff-Com: -0.472D-03-0.195D-01-0.347D-01 0.158D-01 0.207D+00 0.828D+00
 Coeff:      0.447D-05-0.752D-04-0.900D-04 0.252D-03 0.135D-02 0.292D-02
 Coeff:     -0.472D-03-0.195D-01-0.347D-01 0.158D-01 0.207D+00 0.828D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=2.61D-08 MaxDP=7.34D-07 DE=-7.50D-11 OVMax= 1.16D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.38D+00  1.30D+00  1.25D+00  1.14D+00
                    CP:  1.07D+00  1.04D+00
 E= -766.853719952985     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -766.853719953002     IErMin=13 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-13 BMatP= 2.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.661D-06-0.329D-05-0.575D-05-0.321D-04-0.348D-04 0.514D-03
 Coeff-Com:  0.149D-02 0.970D-03-0.769D-02-0.395D-01-0.187D-01 0.303D+00
 Coeff-Com:  0.760D+00
 Coeff:      0.661D-06-0.329D-05-0.575D-05-0.321D-04-0.348D-04 0.514D-03
 Coeff:      0.149D-02 0.970D-03-0.769D-02-0.395D-01-0.187D-01 0.303D+00
 Coeff:      0.760D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=4.57D-07 DE= 1.66D-11 OVMax= 5.02D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.23D-09    CP:  9.76D-01  1.09D+00  1.11D+00  1.18D+00  1.02D+00
                    CP:  1.02D+00  1.38D+00  1.30D+00  1.25D+00  1.14D+00
                    CP:  1.09D+00  1.11D+00  9.45D-01
 E= -766.853719953040     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 6.21D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.853719953040     IErMin=14 ErrMin= 6.21D-09
 ErrMax= 6.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-14 BMatP= 3.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.403D-06 0.952D-05 0.112D-04-0.487D-04-0.205D-03-0.258D-03
 Coeff-Com:  0.508D-03 0.314D-02 0.226D-02-0.139D-01-0.393D-01-0.199D-01
 Coeff-Com:  0.256D+00 0.811D+00
 Coeff:     -0.403D-06 0.952D-05 0.112D-04-0.487D-04-0.205D-03-0.258D-03
 Coeff:      0.508D-03 0.314D-02 0.226D-02-0.139D-01-0.393D-01-0.199D-01
 Coeff:      0.256D+00 0.811D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=4.94D-09 MaxDP=2.34D-07 DE=-5.46D-11 OVMax= 2.68D-07

 SCF Done:  E(RwB97XD) =  -766.853719953     A.U. after   14 cycles
            NFock= 14  Conv=0.49D-08     -V/T= 2.0108
 KE= 7.586660164683D+02 PE=-4.054847144883D+03 EE= 1.392940457237D+03
 Leave Link  502 at Tue Aug 17 19:11:56 2021, MaxMem=  5368709120 cpu:            2378.0 elap:             298.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.54667239D+02

 Leave Link  801 at Tue Aug 17 19:11:56 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.04D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.14D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.72D-02 1.04D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 6.77D-03 3.40D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.59D-03 1.32D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.36D-04 4.14D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.36D-05 1.01D-03.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 6.16D-07 9.61D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 2.83D-08 2.00D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.25D-09 4.23D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.83D-11 7.26D-07.
      9 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.20D-12 1.58D-07.
      7 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.36D-13 2.36D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 6.94D-14 1.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   139 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.293673D+03
      2  0.845721D+01  0.172098D+03
      3  0.154035D+02  0.862329D+01  0.117832D+03
 Isotropic polarizability for W=    0.088559      194.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.268452D+03 -0.529425D+02  0.664722D+02
      2  -0.113534D+03  0.543037D+02 -0.176275D+02
      3  -0.154918D+03 -0.136119D+01 -0.488447D+02
      4  -0.471438D+02  0.119904D+03  0.489631D+02
      5  -0.439115D+00  0.519769D+02 -0.393669D+02
      6   0.194650D+02 -0.519774D+02 -0.170700D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.146322D+01 -0.291644D+02 -0.151854D+01
      2   0.636723D+02  0.196478D+02 -0.153898D+02
      3   0.403300D+02 -0.558998D+02 -0.168118D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.301383D+01 -0.343499D+02  0.345807D+00
      2   0.669113D+02  0.294980D+02  0.115551D+03
      3   0.579872D+01 -0.233438D+03 -0.325119D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.217147D+01 -0.455678D+01 -0.893479D+01
      2  -0.455678D+01 -0.299790D+00  0.308647D+01
      3  -0.893479D+01  0.308647D+01  0.242756D+01
 OR G Eigenvalues:    -6.8705    -2.2046    13.3744  Iso=    -1.4331
 Eigenvectors:
   (1)   0.738872   0.211943   0.639647
   (2)   0.098316   0.905183  -0.413494
   (3)   0.666635  -0.368407  -0.647977
 w=    0.088559 a.u., Optical Rotation Beta=     -1.4331 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -315.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.21D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.65D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 6.64D-02 4.79D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 4.49D-03 2.12D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 9.44D-05 1.64D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 4.88D-06 3.08D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 9.11D-08 3.23D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 1.27D-09 4.31D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 1.76D-11 5.06D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 2.36D-13 5.02D-08.
     11 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 3.17D-14 9.70D-09.
      9 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 5.10D-14 1.94D-08.
      6 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.82D-14 1.09D-08.
      5 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 2.37D-14 9.19D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 8.34D-15 5.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   302 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293673D+03  0.845721D+01  0.154035D+02
      2   0.845721D+01  0.172098D+03  0.862329D+01
      3   0.154035D+02  0.862329D+01  0.117832D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.146322D+01 -0.291644D+02 -0.151854D+01
      2   0.636723D+02  0.196478D+02 -0.153898D+02
      3   0.403300D+02 -0.558998D+02 -0.168118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.268452D+03 -0.529425D+02  0.664722D+02
      2  -0.113534D+03  0.543037D+02 -0.176275D+02
      3  -0.154918D+03 -0.136119D+01 -0.488447D+02
      4  -0.471438D+02  0.119904D+03  0.489631D+02
      5  -0.439115D+00  0.519769D+02 -0.393669D+02
      6   0.194650D+02 -0.519774D+02 -0.170700D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348021D+02 -0.370955D+01 -0.315797D+01  0.420025D+02  0.912178D+01
      2  -0.370955D+01 -0.114530D+01 -0.991164D+00  0.912178D+01  0.905785D+01
      3  -0.315797D+01 -0.991164D+00 -0.765626D-01  0.591601D+01  0.235817D+01
                 6             7             8             9            10 
      1   0.591601D+01  0.404647D+01  0.125799D+01 -0.308146D+00  0.386057D+02
      2   0.235817D+01  0.125799D+01  0.107192D+01  0.142335D+01  0.452975D+01
      3   0.729101D+00 -0.308146D+00  0.142335D+01  0.484882D+00  0.365356D+01
                11            12            13            14            15 
      1   0.452975D+01  0.365356D+01 -0.421493D+02 -0.852377D+01 -0.600020D+01
      2   0.435821D+01  0.100023D+01 -0.852377D+01 -0.768533D+01 -0.246155D+01
      3   0.100023D+01  0.220334D+00 -0.600020D+01 -0.246155D+01 -0.774444D+00
                16            17            18            19            20 
      1  -0.276457D+01 -0.104131D+01  0.725686D+00  0.376583D+02  0.559477D+01
      2  -0.104131D+01 -0.465627D+00 -0.121008D+01  0.559477D+01  0.438096D+01
      3   0.725686D+00 -0.121008D+01 -0.380104D+00  0.323884D+01  0.985444D+00
                21            22            23            24            25 
      1   0.323884D+01  0.205687D+02  0.206405D+01  0.625774D+00  0.888050D+01
      2   0.985444D+00  0.206405D+01  0.464622D+01  0.245486D+00  0.980855D-01
      3   0.447410D+00  0.625774D+00  0.245486D+00  0.207230D+01 -0.821826D+00
                26            27            28            29            30 
      1   0.980855D-01 -0.821826D+00 -0.455283D+02 -0.482498D+01 -0.101133D+01
      2   0.412788D-01  0.361219D+01 -0.482498D+01 -0.284976D+01 -0.340284D+00
      3   0.361219D+01  0.107120D+01 -0.101133D+01 -0.340284D+00 -0.196228D+01
                31            32            33            34            35 
      1  -0.109607D+02 -0.288001D+00  0.581260D+00 -0.563836D+01  0.599766D+00
      2  -0.288001D+00 -0.890967D+01 -0.221652D+01  0.599766D+00 -0.225723D+01
      3   0.581260D+00 -0.221652D+01 -0.687521D+00 -0.586422D+01 -0.133713D+01
                36            37            38            39            40 
      1  -0.586422D+01 -0.722529D+01  0.328627D+00 -0.395033D+00 -0.759299D+01
      2  -0.133713D+01  0.328627D+00 -0.909769D+01 -0.152296D+01 -0.240183D+01
      3  -0.180773D+01 -0.395033D+00 -0.152296D+01 -0.185562D+01  0.482601D+00
                41            42            43            44            45 
      1  -0.240183D+01  0.482601D+00 -0.154601D+01  0.997440D+00 -0.426116D+01
      2   0.323932D+01  0.136039D+01  0.997440D+00  0.192482D+00 -0.246909D+01
      3   0.136039D+01 -0.521958D+00 -0.426116D+01 -0.246909D+01 -0.290419D+01
                46            47            48            49            50 
      1   0.116916D+02  0.141557D+01  0.179018D+01 -0.489238D-01 -0.924048D+00
      2   0.141557D+01  0.626647D+01  0.224386D+01 -0.924048D+00 -0.424685D+00
      3   0.179018D+01  0.224386D+01  0.219446D+01 -0.192416D+00  0.879786D+00
                51            52            53            54            55 
      1  -0.192416D+00  0.124551D+01  0.350435D+00  0.180217D+01 -0.132381D+02
      2   0.879786D+00  0.350435D+00  0.225842D+01 -0.343136D+01 -0.328655D+01
      3  -0.991181D+00  0.180217D+01 -0.343136D+01 -0.118074D+01 -0.194750D+01
                56            57            58            59            60 
      1  -0.328655D+01 -0.194750D+01 -0.189751D+01  0.546824D+00 -0.181209D+00
      2  -0.933326D+01 -0.194908D+01  0.546824D+00 -0.278764D+00 -0.841228D+00
      3  -0.194908D+01 -0.199885D+01 -0.181209D+00 -0.841228D+00  0.109355D+01
                61            62            63            64            65 
      1  -0.169109D+01 -0.504018D+00 -0.182645D+01 -0.253876D+01  0.238038D+01
      2  -0.504018D+00 -0.267247D+01  0.334618D+01  0.238038D+01 -0.134823D+01
      3  -0.182645D+01  0.334618D+01  0.768285D+00 -0.342549D+00  0.221427D+00
                66            67            68            69            70 
      1  -0.342549D+00  0.317146D+01 -0.299600D+01 -0.605189D-01 -0.449971D+00
      2   0.221427D+00 -0.299600D+01  0.596193D+01  0.276061D+00 -0.549395D-01
      3  -0.225607D+00 -0.605189D-01  0.276061D+00  0.733987D+00 -0.235827D-01
                71            72            73            74            75 
      1  -0.549395D-01 -0.235827D-01 -0.495024D+01 -0.295418D+01 -0.113330D+01
      2   0.807610D+00  0.113520D+00 -0.295418D+01 -0.301579D+01 -0.884745D+00
      3   0.113520D+00  0.884237D-03 -0.113330D+01 -0.884745D+00 -0.740368D+00
                76            77            78            79            80 
      1  -0.344712D+01 -0.410075D+01 -0.122701D+01 -0.147836D+01 -0.120337D+01
      2  -0.410075D+01 -0.602519D+01 -0.154714D+01 -0.120337D+01 -0.135207D+01
      3  -0.122701D+01 -0.154714D+01 -0.119673D+01  0.888577D-01 -0.604427D+00
                81            82            83            84            85 
      1   0.888577D-01  0.141509D+01 -0.176947D+01 -0.207156D+00 -0.948482D+00
      2  -0.604427D+00 -0.176947D+01  0.271402D+01  0.304703D+00  0.202167D+01
      3  -0.292364D+00 -0.207156D+00  0.304703D+00  0.310113D+00  0.426105D+00
                86            87            88            89            90 
      1   0.202167D+01  0.426105D+00 -0.531577D-01  0.150033D+00 -0.673138D-01
      2  -0.932557D+01 -0.142500D+01  0.150033D+00 -0.143689D+01 -0.400534D+00
      3  -0.142500D+01 -0.110211D+01 -0.673138D-01 -0.400534D+00 -0.240284D+00
                91            92            93            94            95 
      1   0.198180D+02  0.324975D+01 -0.168270D+01  0.290865D+01  0.264415D+01
      2   0.324975D+01  0.168904D+01 -0.721051D+00  0.264415D+01 -0.117403D+01
      3  -0.168270D+01 -0.721051D+00  0.279853D+01 -0.286139D+00  0.297527D+01
                96            97            98            99           100 
      1  -0.286139D+00 -0.692012D+01 -0.129194D+01  0.557984D+01  0.722628D+01
      2   0.297527D+01 -0.129194D+01  0.176794D+01  0.215518D+01 -0.561479D+00
      3   0.118538D+01  0.557984D+01  0.215518D+01 -0.162779D+00  0.179191D+01
               101           102           103           104           105 
      1  -0.561479D+00  0.179191D+01  0.258099D+01 -0.238866D+01  0.104268D+01
      2  -0.214913D+01  0.129185D+01 -0.238866D+01  0.139100D+01 -0.291153D+01
      3   0.129185D+01 -0.317395D+01  0.104268D+01 -0.291153D+01 -0.170500D+01
               106           107           108           109           110 
      1   0.201777D+01  0.111076D+01 -0.202473D+01  0.388133D+01  0.187846D+01
      2   0.111076D+01 -0.191040D+01 -0.296511D+01  0.187846D+01  0.839040D+00
      3  -0.202473D+01 -0.296511D+01  0.269894D+01  0.635869D-01 -0.377340D+00
               111           112           113           114           115 
      1   0.635869D-01  0.133223D+01 -0.551142D+00  0.293408D+00  0.117794D+02
      2  -0.377340D+00 -0.551142D+00  0.218642D+00 -0.147064D+00  0.128736D+01
      3  -0.753798D+00  0.293408D+00 -0.147064D+00 -0.548354D+00 -0.498517D+01
               116           117           118           119           120 
      1   0.128736D+01 -0.498517D+01 -0.282541D+01 -0.158675D+01 -0.140315D+01
      2   0.508942D+00 -0.605806D+00 -0.158675D+01 -0.979222D+00 -0.400398D+00
      3  -0.605806D+00 -0.113579D-01 -0.140315D+01 -0.400398D+00 -0.151301D+01
               121           122           123           124           125 
      1  -0.525630D+01 -0.181565D+01 -0.101746D+01 -0.232169D+01 -0.496574D+00
      2  -0.181565D+01 -0.252292D+01 -0.198670D+01 -0.496574D+00 -0.194853D+01
      3  -0.101746D+01 -0.198670D+01 -0.197104D+01 -0.233779D+01 -0.177039D+01
               126           127           128           129           130 
      1  -0.233779D+01  0.815711D+00  0.231869D+00 -0.108745D+01 -0.259959D+00
      2  -0.177039D+01  0.231869D+00  0.119315D+01 -0.107138D+01  0.261697D+00
      3  -0.364153D+01 -0.108745D+01 -0.107138D+01  0.237473D+01 -0.148467D+00
               131           132           133           134           135 
      1   0.261697D+00 -0.148467D+00 -0.178312D+01  0.290172D+00  0.240151D+00
      2   0.137428D+01 -0.119011D+01  0.290172D+00 -0.203811D+01  0.273044D+01
      3  -0.119011D+01  0.171343D+01  0.240151D+00  0.273044D+01 -0.676709D+01
               136           137           138           139           140 
      1   0.273837D+00  0.307110D+00  0.564967D+00  0.129127D+01 -0.558512D+00
      2   0.307110D+00  0.677020D+00 -0.109382D+00 -0.558512D+00  0.408316D+01
      3   0.564967D+00 -0.109382D+00  0.642681D+00 -0.101478D+00  0.153336D+01
               141           142           143           144           145 
      1  -0.101478D+00  0.168561D+01 -0.919656D+00  0.201062D+00 -0.124991D+02
      2   0.153336D+01 -0.919656D+00  0.288963D+01  0.158284D+01  0.242749D+01
      3   0.172538D+01  0.201062D+00  0.158284D+01  0.200294D+01 -0.221855D+01
               146           147           148           149           150 
      1   0.242749D+01 -0.221855D+01  0.751382D+00 -0.962403D+00 -0.396936D-01
      2  -0.155997D+01  0.584575D+00 -0.962403D+00  0.124435D+00  0.559880D-01
      3   0.584575D+00 -0.151058D+01 -0.396936D-01  0.559880D-01  0.317810D-01
               151           152           153           154           155 
      1  -0.143984D+01  0.145203D+00 -0.129494D+01 -0.183446D+02 -0.365999D+01
      2   0.145203D+00  0.498922D-01  0.508356D+00 -0.365999D+01 -0.273688D+01
      3  -0.129494D+01  0.508356D+00 -0.940978D+00  0.109491D+01  0.762077D+00
               156           157           158           159           160 
      1   0.109491D+01 -0.460395D+01 -0.454577D+01  0.213046D+00  0.187485D+01
      2   0.762077D+00 -0.454577D+01 -0.296047D+01  0.451517D+00  0.534918D+00
      3  -0.297918D+01  0.213046D+00  0.451517D+00 -0.637360D+00 -0.273225D+01
               161           162           163           164           165 
      1   0.534918D+00 -0.273225D+01 -0.122118D+02 -0.158780D+01  0.448106D+01
      2  -0.131496D+00 -0.862149D+00 -0.158780D+01  0.275549D+00  0.118723D-01
      3  -0.862149D+00  0.402731D+00  0.448106D+01  0.118723D-01 -0.101168D+01
               166           167           168           169           170 
      1  -0.351248D+01  0.227083D-01  0.747910D+00  0.506450D+00 -0.486119D+00
      2   0.227083D-01  0.237017D+00  0.125808D+01 -0.486119D+00  0.603403D+00
      3   0.747910D+00  0.125808D+01 -0.278147D+00 -0.178446D+00 -0.353306D+00
               171           172           173           174           175 
      1  -0.178446D+00  0.106302D+02  0.965002D+00 -0.254139D+01  0.285174D+01
      2  -0.353306D+00  0.965002D+00  0.181703D+00 -0.177768D+00  0.138153D-01
      3   0.660951D+01 -0.254139D+01 -0.177768D+00  0.291389D+01 -0.855659D+00
               176           177           178           179           180 
      1   0.138153D-01 -0.855659D+00 -0.513807D+01 -0.413138D+00  0.206235D+01
      2   0.107418D+00  0.550303D+00 -0.413138D+00  0.915723D+00  0.328720D+00
      3   0.550303D+00  0.894012D+00  0.206235D+01  0.328720D+00  0.231106D+00
               181           182           183           184           185 
      1   0.117320D+02  0.824200D+00  0.754252D+00  0.668879D+01  0.124182D+01
      2   0.824200D+00  0.104731D+02  0.880520D+00  0.124182D+01 -0.484458D+01
      3   0.754252D+00  0.880520D+00  0.165431D+01 -0.583028D-01 -0.118634D+01
               186           187           188           189           190 
      1  -0.583028D-01  0.137503D+01 -0.918541D+00  0.476799D+01  0.339607D+02
      2  -0.118634D+01 -0.918541D+00 -0.670025D+00  0.288750D+01  0.247459D+01
      3   0.706237D+00  0.476799D+01  0.288750D+01  0.248730D+01  0.278724D+01
               191           192           193           194           195 
      1   0.247459D+01  0.278724D+01  0.162188D+02  0.361118D+00  0.374529D+00
      2   0.540279D+01  0.646445D+00  0.361118D+00  0.130616D+02  0.153255D+01
      3   0.646445D+00  0.301151D+01  0.374529D+00  0.153255D+01  0.573562D+00
               196           197           198           199           200 
      1   0.535497D+01 -0.921479D+00  0.677643D+01 -0.363914D+02 -0.510305D+01
      2  -0.921479D+00  0.258714D+01  0.124547D+01 -0.510305D+01 -0.752103D+01
      3   0.677643D+01  0.124547D+01  0.214902D+01 -0.410172D+01 -0.100476D+01
               201           202           203           204           205 
      1  -0.410172D+01 -0.193515D+02 -0.459178D+00 -0.182274D+01 -0.792971D+01
      2  -0.100476D+01 -0.459178D+00 -0.577177D+01  0.107264D+00 -0.270806D+00
      3  -0.293016D+00 -0.182274D+01  0.107264D+00 -0.212104D+01 -0.611263D+00
               206           207           208           209           210 
      1  -0.270806D+00 -0.611263D+00 -0.576803D+01  0.942169D+00 -0.633144D+00
      2  -0.577201D+00 -0.377453D+01  0.942169D+00 -0.176429D+01 -0.359610D+00
      3  -0.377453D+01 -0.178137D+01 -0.633144D+00 -0.359610D+00 -0.140842D+00
               211           212           213           214           215 
      1   0.141725D+01  0.157841D+01  0.553046D+00 -0.475682D+00  0.247744D+00
      2   0.157841D+01  0.191300D+01  0.608989D+00  0.247744D+00 -0.334396D-01
      3   0.553046D+00  0.608989D+00 -0.715286D+00  0.483416D+00  0.480945D+00
               216           217           218           219           220 
      1   0.483416D+00 -0.161652D+01 -0.187432D+01 -0.648674D+00 -0.363004D+01
      2   0.480945D+00 -0.187432D+01  0.287461D+01 -0.463032D+00 -0.642017D-01
      3   0.133479D+00 -0.648674D+00 -0.463032D+00  0.138328D+01 -0.996837D+00
               221           222           223           224           225 
      1  -0.642017D-01 -0.996837D+00 -0.650469D+00 -0.561405D+00 -0.123209D+01
      2  -0.453827D+00 -0.169857D+01 -0.561405D+00 -0.109004D+01  0.338447D+01
      3  -0.169857D+01  0.484933D+01 -0.123209D+01  0.338447D+01  0.226121D+01
               226           227           228           229           230 
      1  -0.110682D+01  0.148650D+01  0.123624D+00  0.554139D+00 -0.143659D+01
      2   0.148650D+01 -0.282033D+01 -0.262032D+00 -0.143659D+01  0.938348D+01
      3   0.123624D+00 -0.262032D+00 -0.289284D+00 -0.309673D+00  0.118051D+01
               231           232           233           234           235 
      1  -0.309673D+00 -0.809956D-01 -0.158901D+00  0.183673D+00  0.575061D+01
      2   0.118051D+01 -0.158901D+00  0.129743D+01  0.384045D+00  0.393772D+01
      3   0.101238D+01  0.183673D+00  0.384045D+00  0.262657D+00  0.130101D+01
               236           237           238           239           240 
      1   0.393772D+01  0.130101D+01  0.461016D+01  0.492735D+01  0.132901D+01
      2   0.370882D+01  0.948378D+00  0.492735D+01  0.649245D+01  0.149151D+01
      3   0.948378D+00  0.886155D+00  0.132901D+01  0.149151D+01  0.123319D+01
               241           242           243           244           245 
      1   0.162728D+01  0.139239D+01  0.539871D-01  0.154561D+01 -0.225357D+01
      2   0.139239D+01  0.152699D+01  0.628108D+00 -0.225357D+01  0.143840D+01
      3   0.539871D-01  0.628108D+00  0.329133D+00 -0.254091D+00 -0.319576D-01
               246           247           248           249           250 
      1  -0.254091D+00 -0.358102D+01  0.316841D+01  0.259678D+00 -0.490696D+00
      2  -0.319576D-01  0.316841D+01 -0.591098D+01 -0.649112D+00  0.277836D+00
      3   0.118318D+00  0.259678D+00 -0.649112D+00 -0.699519D+00  0.839579D-01
               251           252           253           254           255 
      1   0.277836D+00  0.839579D-01  0.152106D+02 -0.447718D+00  0.138364D+01
      2  -0.943787D+00 -0.134720D-01 -0.447718D+00  0.970407D+00 -0.404442D-01
      3  -0.134720D-01 -0.559178D-01  0.138364D+01 -0.404442D-01  0.130263D+01
               256           257           258           259           260 
      1   0.199816D+01  0.106962D+01  0.166730D+00  0.190542D+01 -0.756571D-01
      2   0.106962D+01  0.416584D+00  0.265154D+00 -0.756571D-01  0.314611D+00
      3   0.166730D+00  0.265154D+00  0.287229D-01  0.164031D+01 -0.326481D+00
               261           262           263           264           265 
      1   0.164031D+01  0.463898D-01  0.234915D+00 -0.816325D+00 -0.504295D+00
      2  -0.326481D+00  0.234915D+00 -0.217855D+00  0.218371D+00  0.126528D+01
      3   0.384583D+00 -0.816325D+00  0.218371D+00 -0.521558D+00  0.104666D+01
               266           267           268           269           270 
      1   0.126528D+01  0.104666D+01 -0.409214D+01  0.193730D+01  0.252810D+01
      2  -0.164045D+01 -0.135985D+01  0.193730D+01 -0.184404D+01 -0.211032D+01
      3  -0.135985D+01 -0.200370D+01  0.252810D+01 -0.211032D+01 -0.560267D+01
               271           272           273           274           275 
      1  -0.121552D+01  0.410535D+00  0.553233D+00 -0.120175D+01  0.170779D+01
      2   0.410535D+00 -0.904540D+00  0.607634D+00  0.170779D+01 -0.378017D+01
      3   0.553233D+00  0.607634D+00 -0.121217D+01 -0.760639D+00  0.249032D+01
               276           277           278           279 
      1  -0.760639D+00  0.264481D+01 -0.135958D+01  0.135142D+01
      2   0.249032D+01 -0.135958D+01  0.253793D+01 -0.257713D+01
      3  -0.262894D+01  0.135142D+01 -0.257713D+01  0.349125D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389455D+01 -0.328869D+01  0.121455D+00 -0.748299D+01 -0.652961D+01
      2  -0.817590D+01 -0.415028D+01 -0.112383D+01  0.112358D+02  0.211971D+00
      3  -0.280063D+02  0.222460D+02  0.765348D+00  0.377124D+02  0.182621D+02
                 6             7             8             9            10 
      1  -0.183014D+01  0.309439D+01  0.650757D+01  0.127483D+01 -0.112870D+01
      2  -0.146217D+00 -0.173310D+02 -0.252902D+01 -0.240130D+01  0.199195D+02
      3   0.604224D+01  0.197315D+01  0.729679D+01  0.488812D-01 -0.251546D+01
                11            12            13            14            15 
      1  -0.574506D+01 -0.798849D+00 -0.431495D+01 -0.205862D+01 -0.464776D-01
      2  -0.113268D+01 -0.315918D+01 -0.179944D+02 -0.581102D+01 -0.310697D+01
      3   0.266860D+02  0.302774D+01  0.436637D+02  0.250396D+02  0.865266D+01
                16            17            18            19            20 
      1   0.316041D+01  0.739543D+01  0.196219D+01 -0.518199D+01  0.802029D+00
      2  -0.207065D+02 -0.293863D+01 -0.269214D+01  0.146752D+02  0.648724D+01
      3   0.523931D+01  0.857814D+01  0.213449D+01  0.306396D+02 -0.187890D+02
                21            22            23            24            25 
      1  -0.511415D+00 -0.660672D+00 -0.323555D+01 -0.244159D+01  0.707347D+01
      2   0.891643D+00  0.130875D+02  0.226860D+01 -0.939038D+00 -0.153125D+02
      3   0.510089D+00  0.936937D+01  0.176558D+01  0.225548D+00 -0.577937D+00
                26            27            28            29            30 
      1   0.230799D+01 -0.226657D+01 -0.231016D+00 -0.128972D+01 -0.358110D+00
      2  -0.692991D+01 -0.313449D+01 -0.255343D+02 -0.420488D+01  0.485090D+00
      3  -0.430060D+01  0.195649D+01 -0.545239D+01  0.661779D+01  0.834950D+00
                31            32            33            34            35 
      1  -0.612970D+01  0.287795D+01  0.264334D+01 -0.191959D+01  0.139213D+02
      2  -0.626501D+01  0.193770D+01  0.616541D+00 -0.135353D+02 -0.343259D+00
      3   0.217242D+02 -0.315675D+01 -0.368896D+01  0.185573D+01  0.584089D+00
                36            37            38            39            40 
      1   0.352708D+01 -0.118076D+01  0.489150D+01 -0.254239D+01  0.442611D+01
      2  -0.639988D+00 -0.170949D+01  0.245079D+00  0.138973D+01 -0.415522D+01
      3  -0.186926D+01  0.192381D+02 -0.311106D+01 -0.811239D+00  0.192750D+01
                41            42            43            44            45 
      1  -0.363515D+01 -0.193714D+01 -0.151183D+02  0.453117D+01 -0.110251D+01
      2  -0.463976D+01  0.810919D+00 -0.110045D+02  0.678142D+01 -0.955286D+00
      3   0.795933D+01  0.325831D+01 -0.596693D+00  0.221042D+01  0.569805D+01
                46            47            48            49            50 
      1   0.228105D+01 -0.362881D+00  0.328455D+01  0.472176D+00  0.392179D+01
      2   0.807011D+01  0.304602D+01  0.218381D+01  0.324000D+01  0.307719D+01
      3  -0.318148D+02 -0.244537D+02 -0.519465D+01 -0.789964D+01 -0.209456D+02
                51            52            53            54            55 
      1  -0.241715D+01  0.107912D+02 -0.268265D+01  0.304009D+01  0.230851D+01
      2   0.120004D+01 -0.159921D+02 -0.336868D-01  0.281715D+00  0.437143D+01
      3  -0.379037D+01 -0.740584D+01 -0.585278D+01 -0.718154D+01 -0.250912D+02
                56            57            58            59            60 
      1   0.405627D+01  0.505159D+01 -0.142603D+01  0.365332D+01 -0.190431D+01
      2   0.555184D+00 -0.320881D+01  0.370375D+01  0.244435D+01  0.344896D+01
      3  -0.121120D+02 -0.284157D+01 -0.841825D+00 -0.207891D+02 -0.773246D+00
                61            62            63            64            65 
      1   0.101931D+02 -0.220360D+01  0.127774D+01  0.693161D+00 -0.879908D+00
      2  -0.212164D+02  0.456134D+01  0.523453D+00  0.110867D+01  0.135623D-01
      3  -0.440588D+01 -0.252198D+01 -0.134695D+02 -0.432907D+01  0.203732D+01
                66            67            68            69            70 
      1   0.121545D+01  0.251507D+00 -0.148544D+01 -0.349550D+01  0.413005D+00
      2   0.298711D+00  0.405123D+00 -0.104247D+01 -0.151583D+01 -0.178055D+01
      3  -0.910060D+00  0.589980D+01  0.364001D+01  0.882432D+00 -0.634787D+00
                71            72            73            74            75 
      1   0.169203D+01  0.238201D+00  0.282143D+00  0.121591D+01 -0.204315D+01
      2   0.971073D+00  0.332038D-01 -0.338823D+01 -0.124084D+01  0.111170D+01
      3   0.110822D+01 -0.974243D+00  0.715533D+01  0.161249D+00  0.708523D+00
                76            77            78            79            80 
      1   0.120500D+01  0.257296D+01 -0.280707D+01  0.304469D+01  0.197625D+01
      2  -0.167152D+01 -0.123889D+01  0.194581D+01 -0.295865D+01 -0.403203D+00
      3   0.210640D+01 -0.231096D+01 -0.643274D-02  0.161484D+01 -0.259388D+00
                81            82            83            84            85 
      1   0.111341D+00  0.129743D+01 -0.174201D+01  0.143121D+01 -0.519091D+00
      2   0.738287D+00  0.142817D+01 -0.123857D+01  0.784369D+00 -0.114882D+01
      3  -0.998857D+00 -0.573325D+01  0.264779D+01  0.184591D+00  0.543114D+01
                86            87            88            89            90 
      1   0.378938D+01 -0.378514D+01 -0.147885D+01  0.255765D+01 -0.483876D+00
      2   0.176380D+01 -0.974461D+00 -0.395370D+00 -0.462463D+00 -0.429259D+00
      3  -0.336707D+01 -0.994999D+00 -0.224116D+00 -0.800614D+00  0.883974D+00
                91            92            93            94            95 
      1  -0.793445D+00 -0.142888D+01  0.421843D+00  0.143049D+01  0.273553D+00
      2   0.192829D+02  0.379042D+01 -0.866896D+01  0.325865D+01 -0.723263D+01
      3   0.524579D+01 -0.373556D+00 -0.110729D+01  0.170502D+02 -0.653192D+01
                96            97            98            99           100 
      1  -0.290149D+01 -0.725994D-01  0.372991D+01 -0.360011D+01 -0.186967D+01
      2  -0.398352D+01 -0.358495D+02 -0.797496D+01  0.362968D+01  0.194742D+01
      3   0.118409D+02 -0.258271D+01  0.102274D+02  0.780960D+01  0.143885D+02
               101           102           103           104           105 
      1   0.280556D+01  0.230427D+01  0.905228D+00  0.306972D+01  0.580145D+01
      2  -0.480084D+01  0.154565D+02 -0.150493D+01  0.764195D+01  0.797673D+01
      3  -0.157492D+02  0.837536D+01 -0.940753D+01  0.613267D-01 -0.121076D+02
               106           107           108           109           110 
      1  -0.722812D+00  0.987893D+01 -0.545930D-01  0.480892D+01  0.169011D+01
      2   0.709022D+01  0.122334D+02 -0.119591D+02 -0.191253D+02 -0.393484D+01
      3   0.621511D+01 -0.765686D+01 -0.159894D+02 -0.223591D+01  0.142521D+02
               111           112           113           114           115 
      1   0.531478D+01  0.108721D+02  0.529143D+01 -0.148693D+02  0.371128D+01
      2   0.136743D+01 -0.173652D+01 -0.958373D+00 -0.371533D+01  0.181048D+02
      3   0.973191D+00  0.122701D+02  0.107228D+02 -0.211555D+01  0.451986D+01
               116           117           118           119           120 
      1  -0.375790D+01 -0.235108D+01  0.575676D+00  0.116533D+01  0.234698D+00
      2  -0.492817D+00 -0.116322D+00  0.307632D+01  0.442295D+00  0.531100D+01
      3  -0.357514D+01 -0.201854D+01 -0.670933D+01 -0.538377D+01 -0.156624D+01
               121           122           123           124           125 
      1   0.259533D+00  0.223098D+01  0.303270D+00 -0.906013D-02  0.270352D+01
      2  -0.110079D+01  0.507536D+01  0.638754D+01  0.470607D+01  0.531913D+01
      3  -0.258731D+01 -0.875094D+01 -0.701072D+01 -0.114614D+01 -0.804099D+01
               126           127           128           129           130 
      1   0.781826D+00  0.888819D+00 -0.145146D+01 -0.219063D+01 -0.254553D+00
      2   0.991827D+01  0.692983D+01  0.349789D+01 -0.890047D+01  0.641817D+00
      3  -0.685079D+01  0.358870D+01  0.527851D+01 -0.602917D+01  0.325959D+01
               131           132           133           134           135 
      1  -0.336033D+00 -0.231048D+01 -0.142300D+01  0.124824D+01  0.610313D+01
      2   0.461509D+01 -0.644805D+01 -0.578084D+01 -0.922204D+01  0.239846D+02
      3   0.562407D+01 -0.530675D+01 -0.292520D+01 -0.733636D+01  0.124806D+02
               136           137           138           139           140 
      1  -0.207491D+01 -0.702703D+00 -0.160461D+01  0.659970D-01 -0.718567D+01
      2  -0.276500D+01  0.833874D+00 -0.168797D+01  0.926276D+00 -0.616049D+01
      3   0.523842D+01  0.330945D+01  0.155990D+01  0.270519D+01  0.166985D+02
               141           142           143           144           145 
      1  -0.697684D+01 -0.103067D+00 -0.477662D+01 -0.701783D+01  0.469526D+00
      2  -0.639166D+01 -0.139721D+01 -0.625498D+01 -0.723690D+01 -0.632316D+01
      3   0.702499D+01  0.166914D+01  0.113259D+02  0.842441D+01 -0.840573D+01
               146           147           148           149           150 
      1   0.167722D+01  0.181409D+01  0.102293D+01 -0.156457D+00 -0.113104D+01
      2   0.835951D-01  0.589086D+01  0.581377D+00 -0.168507D+01 -0.176848D+00
      3  -0.631357D+01 -0.464960D+00 -0.155580D+01 -0.519110D+00  0.130289D+01
               151           152           153           154           155 
      1   0.122083D+01 -0.279737D+00  0.321871D+00 -0.353146D+01 -0.153221D+01
      2   0.261464D+01 -0.158343D+01  0.236795D+01  0.928162D+01  0.272710D+00
      3  -0.136118D+01  0.813157D+00  0.545498D+00 -0.539297D+01 -0.247365D+02
               156           157           158           159           160 
      1  -0.553599D+01 -0.790564D+01 -0.331007D+01 -0.155998D+00 -0.291058D+01
      2   0.222451D+02 -0.180739D+01  0.128461D+01  0.619532D+01  0.791319D+01
      3   0.109757D+01 -0.158942D+02 -0.150479D+02  0.145276D+01  0.245261D+00
               161           162           163           164           165 
      1   0.265664D+01  0.355714D+00 -0.561269D+01 -0.239301D+01  0.607100D+00
      2   0.391152D+01 -0.160512D+01  0.819921D+01  0.370229D+01  0.123406D+01
      3   0.252431D+01 -0.213322D+01 -0.549738D+01 -0.333310D+01 -0.128914D+00
               166           167           168           169           170 
      1  -0.497079D+01 -0.551681D+00  0.424235D+01  0.168753D+01  0.734366D+01
      2   0.378692D+01 -0.502728D+01  0.139696D+01 -0.997410D+01  0.861095D+00
      3   0.116819D+01 -0.100825D+00  0.561780D+01 -0.177089D+01  0.255167D+01
               171           172           173           174           175 
      1   0.285464D+01  0.660756D+01  0.232271D+01 -0.137305D+01  0.606549D+01
      2  -0.215220D+02 -0.194284D+02 -0.245776D+01 -0.540562D+01 -0.440152D+01
      3  -0.576816D+00  0.321549D+01  0.181717D+01 -0.107912D+01  0.508827D+01
               176           177           178           179           180 
      1   0.823426D+00 -0.267139D+01 -0.148442D+01 -0.106384D+01  0.609461D+00
      2  -0.234096D+01 -0.164148D+01 -0.565741D+00  0.310688D+00 -0.163175D+01
      3   0.166257D+00  0.408479D+00 -0.164753D+01 -0.840457D+00  0.602394D+00
               181           182           183           184           185 
      1  -0.411923D+00 -0.162364D+01 -0.447292D+01  0.355758D+01 -0.245360D+01
      2  -0.115376D+01  0.115226D+01  0.537148D+01  0.290935D+01 -0.725836D+01
      3   0.221248D+02 -0.130186D+02  0.233716D+00 -0.540782D+01  0.253413D+02
               186           187           188           189           190 
      1  -0.166724D+01 -0.156672D+02  0.527304D+01 -0.274344D+01 -0.172215D+01
      2   0.596424D+00  0.169520D+00  0.100463D+02  0.400730D+01  0.992313D+01
      3   0.400576D+01 -0.355963D+00  0.525705D+01  0.282766D+01  0.870094D+01
               191           192           193           194           195 
      1  -0.579094D+01 -0.170970D+01 -0.658528D+01 -0.442590D+01  0.211932D+01
      2  -0.283399D+01 -0.186988D+00 -0.233354D+01  0.488592D+01  0.115987D+01
      3   0.192884D+02  0.435328D+01  0.455054D+02 -0.216279D+02  0.170481D+01
               196           197           198           199           200 
      1   0.114431D+01  0.121782D+02  0.280405D+01 -0.119883D+00  0.410517D+01
      2   0.163014D+01  0.294621D+01  0.332288D+01 -0.139165D+02  0.129739D+01
      3   0.983134D+01  0.123991D+01 -0.101544D+01  0.811048D+01 -0.171649D+02
               201           202           203           204           205 
      1   0.606316D+00  0.101866D+01  0.186526D+01 -0.247188D+01  0.345134D+01
      2   0.266713D+01 -0.116296D+01  0.249682D+01 -0.343311D+01 -0.208460D+02
      3  -0.218095D+01 -0.938759D+01  0.765666D+00 -0.336235D+01 -0.464598D+01
               206           207           208           209           210 
      1   0.372904D+01  0.853755D+00  0.174506D+01  0.524924D+01  0.155424D+01
      2  -0.134919D+02 -0.631646D+01  0.280820D+00  0.439861D+01  0.116765D+02
      3  -0.560601D+01  0.625226D+01 -0.147874D+02 -0.363065D+02 -0.594935D+01
               211           212           213           214           215 
      1   0.591838D+00  0.142201D+01 -0.565117D+01 -0.273897D+01  0.213488D+00
      2   0.150866D+01  0.206209D+01 -0.581048D+01 -0.393587D+01  0.496139D+01
      3   0.166451D+01 -0.715363D+01 -0.233223D+01 -0.249312D+01 -0.489202D+01
               216           217           218           219           220 
      1  -0.123746D+01 -0.231438D+01 -0.117212D+01  0.137790D+01  0.951154D+00
      2   0.108792D+01 -0.651935D+01 -0.314465D+01  0.728537D+01 -0.366580D+01
      3  -0.265458D+01  0.307055D+02 -0.105857D+02  0.700211D+01 -0.207037D+01
               221           222           223           224           225 
      1  -0.675123D+00  0.705085D+01 -0.983182D+01  0.848818D+01  0.427152D+01
      2  -0.642669D+01  0.289656D+02 -0.670938D+01  0.194499D+02  0.140300D+02
      3  -0.169214D+02  0.779214D+01  0.482958D+01  0.555256D+01 -0.245367D+02
               226           227           228           229           230 
      1   0.478335D+00 -0.575977D+00  0.165351D+01  0.401488D+00  0.649877D-01
      2   0.102915D+01 -0.922964D+00  0.167599D+00 -0.114958D+01  0.308278D+01
      3  -0.811017D+01  0.734007D+01  0.431777D+00  0.673673D+01 -0.197458D+02
               231           232           233           234           235 
      1  -0.449678D+01 -0.116750D+01  0.192643D+01 -0.613252D+00 -0.128828D+01
      2   0.702462D+00  0.224429D+00  0.482300D+00  0.746409D-01  0.173195D+01
      3  -0.305430D+01  0.719538D-01 -0.253561D+01  0.272074D+00  0.401329D+00
               236           237           238           239           240 
      1  -0.116917D+00 -0.258392D+01 -0.843219D+00  0.100862D+00 -0.354632D+01
      2   0.161245D+01  0.353325D+01  0.252965D+01  0.306702D+01  0.476670D+01
      3  -0.570359D+01 -0.479446D+00 -0.581302D+01 -0.133372D+02 -0.235513D+01
               241           242           243           244           245 
      1   0.244355D+01  0.918725D+00 -0.339124D+00  0.297702D+00 -0.497973D+00
      2  -0.216851D+01  0.178027D+01  0.136603D+01  0.155523D+00 -0.606184D+00
      3  -0.869662D+00 -0.246622D+01 -0.214792D+01  0.249107D+01 -0.241406D+01
               246           247           248           249           250 
      1   0.810242D+00 -0.626967D+00  0.329017D+00 -0.292631D+01  0.223188D+00
      2   0.486412D+00 -0.605989D+00 -0.141712D+01 -0.248397D+01 -0.130938D+01
      3   0.997919D-01 -0.680154D+00  0.145901D+02  0.205711D+01 -0.133261D-01
               251           252           253           254           255 
      1   0.146255D+01 -0.100680D+00  0.135593D+01  0.590168D+00  0.131932D+01
      2   0.101073D+01 -0.887481D-01  0.503461D+01  0.617583D-01  0.956015D+01
      3   0.289616D+01 -0.314236D+00 -0.121179D+02 -0.868688D+01 -0.146632D+01
               256           257           258           259           260 
      1   0.232372D+00  0.472864D+00 -0.666837D+00  0.178624D+01  0.730437D-01
      2   0.486415D+00  0.128293D+01  0.233768D+00  0.752906D+01 -0.168768D+01
      3  -0.603889D+01 -0.363563D+01 -0.169856D+01 -0.137125D+01 -0.230800D+01
               261           262           263           264           265 
      1   0.133819D+00 -0.642308D+00  0.143169D+00 -0.112970D+01  0.709414D+00
      2   0.194083D+01 -0.616595D+01  0.112073D+01 -0.243891D+01  0.519363D+01
      3   0.116806D+01 -0.445821D+00  0.293425D+01  0.378316D+00 -0.417419D+01
               266           267           268           269           270 
      1  -0.178351D+01 -0.382166D+01  0.373552D+01 -0.105057D+01 -0.902749D+01
      2  -0.770836D+01 -0.116360D+02  0.890787D+01 -0.122299D+02 -0.315928D+02
      3   0.122573D+02  0.861828D+01 -0.656764D+01  0.125405D+02  0.150814D+02
               271           272           273           274           275 
      1   0.119185D+00 -0.120298D+00 -0.226813D+01 -0.417887D+00  0.749971D+00
      2   0.545860D+01  0.236809D+01 -0.569887D+01 -0.279100D+01  0.117493D+02
      3   0.118171D+01  0.756017D+01 -0.463994D+01 -0.468846D+01  0.252711D+02
               276           277           278           279 
      1  -0.414965D+01  0.169304D+01 -0.838659D+00  0.472971D+01
      2  -0.140007D+02  0.304358D+01 -0.132720D+02  0.173150D+02
      3  -0.145900D+02  0.353056D+01 -0.157133D+02  0.165452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715209D+02 -0.325221D+02 -0.110832D+02  0.805861D+02  0.432802D+00
      2   0.377551D+02  0.201746D+02  0.796945D+01 -0.358338D+02  0.102188D+02
      3   0.337659D+02  0.123475D+02  0.311376D+01 -0.447523D+02 -0.106516D+02
      4  -0.872646D+01  0.149697D+02  0.283708D+01  0.110777D+02  0.225104D+02
      5  -0.930477D+01  0.875967D+00 -0.261615D+01  0.355288D+00  0.173507D+01
      6  -0.134626D+01  0.447435D+01  0.399778D+00 -0.193440D+01 -0.278255D-01
                 6             7             8             9            10 
      1   0.105347D+02  0.496361D+01 -0.171896D+01 -0.935419D+01  0.870520D+02
      2  -0.181496D+01  0.517132D+00  0.383723D+01 -0.623148D+00 -0.345496D+02
      3  -0.871978D+01 -0.548074D+01 -0.211827D+01  0.997734D+01 -0.525024D+02
      4   0.521351D+01  0.914725D+00  0.457288D+01  0.269490D+01 -0.254918D+02
      5  -0.198381D+01 -0.749093D+00  0.140014D+01 -0.324523D+01  0.425433D+01
      6   0.602780D-02 -0.276295D+01  0.395904D+01 -0.273166D+01 -0.329741D+00
                11            12            13            14            15 
      1  -0.162729D+02  0.725325D+01 -0.813501D+02 -0.290090D+02 -0.124858D+02
      2   0.132877D+02 -0.395283D+00  0.314625D+02  0.174892D+02  0.764625D+01
      3   0.298513D+01 -0.685796D+01  0.498877D+02  0.115198D+02  0.483959D+01
      4   0.136372D+02  0.209855D+01 -0.298836D+02 -0.177828D+02 -0.488000D+01
      5   0.343767D+01 -0.820983D+01 -0.368352D+01 -0.971016D+00 -0.412273D-01
      6   0.133190D+01  0.132309D+00 -0.181638D+01  0.454763D+01 -0.116890D+00
                16            17            18            19            20 
      1  -0.308769D+01 -0.603800D+01 -0.615122D+01  0.373089D+02  0.388987D+02
      2   0.330263D+01  0.397817D+01 -0.239124D+01 -0.187989D+02 -0.261931D+02
      3  -0.214941D+00  0.205984D+01  0.854246D+01 -0.185100D+02 -0.127056D+02
      4  -0.859893D+01 -0.125571D+01 -0.400967D+01  0.143446D+02 -0.185400D+02
      5   0.229565D+01 -0.165148D+01 -0.352192D+01  0.723242D+01  0.180889D+01
      6  -0.233779D+01  0.397777D+01 -0.135195D+01  0.276898D+01 -0.901505D+01
                21            22            23            24            25 
      1   0.138758D+02 -0.131927D+02  0.198494D+02  0.935438D+01  0.226709D+01
      2  -0.789234D+01  0.204332D+02 -0.221393D+02 -0.562354D+01  0.459678D+01
      3  -0.598344D+01 -0.724052D+01  0.228989D+01 -0.373084D+01 -0.686386D+01
      4  -0.601259D+00  0.110030D+02 -0.180639D+01  0.201558D+01  0.824335D+01
      5  -0.259730D+00  0.446689D+01  0.283769D+01 -0.466940D+01  0.867298D+01
      6  -0.132903D+01  0.668720D+01 -0.102687D+02  0.402138D+01  0.591304D+00
                26            27            28            29            30 
      1   0.173891D+02 -0.536664D+01  0.237996D+02  0.687302D+01 -0.692362D+01
      2  -0.112362D+02 -0.389757D+01 -0.288024D+02 -0.293011D+01  0.264843D+01
      3  -0.615297D+01  0.926421D+01  0.500281D+01 -0.394290D+01  0.427519D+01
      4   0.861364D+00 -0.482714D+01  0.115759D+02  0.118611D+02  0.177588D+01
      5  -0.780446D+01 -0.512220D+01 -0.596582D+01  0.217666D+01  0.668043D+01
      6   0.883130D+01 -0.385329D+01 -0.525139D+01  0.320853D+01  0.131403D+01
                31            32            33            34            35 
      1  -0.212198D+02 -0.543105D+02 -0.124368D+02 -0.136636D+02 -0.120658D+02
      2   0.141866D+02  0.442610D+02  0.132200D+02 -0.789390D+00  0.910823D+01
      3   0.703318D+01  0.100495D+02 -0.783268D+00  0.144530D+02  0.295757D+01
      4  -0.356053D+02  0.160370D+02  0.372098D+01 -0.114729D+02  0.495887D+01
      5  -0.136727D+02 -0.137611D+00 -0.280014D+00  0.216920D+02  0.480948D+01
      6  -0.433050D+01  0.152531D+02  0.520445D+00 -0.121879D+01  0.687839D+01
                36            37            38            39            40 
      1  -0.717155D+01 -0.117633D+02 -0.604324D+02 -0.128395D+02  0.270655D+02
      2  -0.683147D+01  0.554185D+01  0.434051D+02  0.562560D+01 -0.245074D+02
      3   0.140030D+02  0.622147D+01  0.170274D+02  0.721394D+01 -0.255811D+01
      4   0.173257D+01 -0.253789D+02 -0.710440D-02 -0.466237D+01  0.218682D+02
      5   0.304324D+01 -0.101636D+01 -0.759706D+01  0.579242D+00  0.810615D+00
      6  -0.189139D+01 -0.626292D+01  0.875666D+01  0.722856D+01 -0.542973D+01
                41            42            43            44            45 
      1   0.310730D+02  0.758032D+01 -0.175350D+01 -0.538984D+01 -0.170534D+02
      2  -0.274201D+02 -0.800450D+01 -0.117494D+02 -0.406367D+01 -0.101377D+01
      3  -0.365289D+01  0.424183D+00  0.135029D+02  0.945351D+01  0.180672D+02
      4  -0.204859D+02 -0.592735D+01 -0.917051D+01 -0.736888D+01  0.535593D+01
      5  -0.400565D+01  0.462318D+01  0.123909D+02  0.475433D+01  0.612000D+01
      6  -0.128084D+02 -0.794551D+00  0.153121D+02  0.104808D+02  0.785729D+01
                46            47            48            49            50 
      1   0.170408D+02  0.503970D+02  0.152945D+02 -0.125975D+02  0.858652D+01
      2  -0.115646D+02 -0.325876D+02 -0.583896D+01  0.112445D+02 -0.129541D+02
      3  -0.547625D+01 -0.178093D+02 -0.945552D+01  0.135302D+01  0.436758D+01
      4   0.270274D+02 -0.122372D+02  0.355952D+00  0.165651D+02  0.101810D+02
      5  -0.485886D+01 -0.122123D+00  0.142502D+01 -0.452243D+00  0.217152D+01
      6   0.205809D+01 -0.116581D+02 -0.835610D+01  0.486650D+01 -0.746245D+01
                51            52            53            54            55 
      1   0.392964D+01  0.227381D+01  0.104503D+02 -0.186709D+02 -0.226337D+02
      2  -0.602320D+01  0.251067D+01 -0.178385D+02  0.663225D+01  0.397131D+01
      3   0.209356D+01 -0.478449D+01  0.738817D+01  0.120387D+02  0.186624D+02
      4   0.408647D+01  0.654095D+01 -0.128879D+01 -0.397738D+01 -0.835035D+01
      5   0.327168D+00  0.466526D+01 -0.177143D+01 -0.497807D+01  0.405716D+01
      6   0.460587D+01 -0.555278D+01  0.166962D+02  0.462017D+01  0.137021D+01
                56            57            58            59            60 
      1   0.368266D+02  0.735710D+01 -0.545526D+01  0.157114D+02  0.646966D+01
      2  -0.311861D+02 -0.422865D+01  0.603998D+01 -0.177988D+02 -0.656251D+01
      3  -0.564051D+01 -0.312846D+01 -0.584722D+00  0.208745D+01  0.928573D-01
      4  -0.516599D+02 -0.874752D+01  0.132015D+02  0.780017D+01 -0.421568D+00
      5  -0.492677D+01 -0.598448D+01  0.461301D+01 -0.660820D+00  0.449306D+01
      6  -0.698672D+01 -0.827644D+01  0.377334D+01 -0.786504D+01  0.523759D+01
                61            62            63            64            65 
      1  -0.855338D+00  0.112198D+02 -0.252901D+02  0.514923D+01 -0.203324D+00
      2   0.158857D+01 -0.162583D+02  0.116680D+02 -0.602450D-01 -0.218951D+01
      3  -0.733233D+00  0.503852D+01  0.136221D+02 -0.508898D+01  0.239284D+01
      4   0.111627D+01 -0.113160D+02  0.596541D+01 -0.114826D+02  0.100701D+02
      5  -0.140230D+01  0.109936D+02 -0.508534D+00  0.449741D+01 -0.139559D+01
      6  -0.593245D+01  0.203237D+02  0.143083D+01 -0.286211D+01  0.166554D+01
                66            67            68            69            70 
      1   0.199221D+01  0.335624D+01 -0.185224D+02 -0.114122D+01  0.377150D+01
      2  -0.116489D+01 -0.799247D+01  0.256521D+02  0.965243D+00 -0.292788D+01
      3  -0.827318D+00  0.463623D+01 -0.712971D+01  0.175973D+00 -0.843617D+00
      4  -0.929529D+00  0.137330D+02 -0.188991D+02 -0.730108D+00  0.224949D+00
      5   0.179022D+01 -0.807714D+00 -0.636854D+00 -0.244151D+01  0.112514D+01
      6  -0.138427D+01  0.161498D+01 -0.203759D+01  0.461480D+01 -0.220882D+01
                71            72            73            74            75 
      1  -0.339240D+01 -0.189488D+01  0.125818D+01 -0.490834D+01 -0.205465D+01
      2   0.348483D+01  0.242005D+01  0.490265D+01  0.101059D+02  0.147042D+01
      3  -0.924269D-01 -0.525165D+00 -0.616083D+01 -0.519756D+01  0.584235D+00
      4  -0.214536D+01 -0.122591D+01  0.212040D+02  0.197256D+02  0.539082D+01
      5  -0.138973D+00  0.907722D-01  0.808904D+01  0.571159D+01  0.506716D+01
      6   0.152395D+01  0.885968D+00  0.724544D+01  0.730212D+01  0.477623D+01
                76            77            78            79            80 
      1  -0.894919D+01 -0.198340D+02 -0.633561D+01 -0.588256D+00 -0.409595D+01
      2   0.151860D+02  0.285023D+02  0.523529D+01  0.375496D+01  0.506361D+01
      3  -0.623685D+01 -0.866826D+01  0.110033D+01 -0.316671D+01 -0.967657D+00
      4   0.226812D+02  0.281215D+02  0.676937D+01  0.695660D+01  0.670314D+01
      5   0.657468D+01  0.709905D+01  0.508676D+01  0.210688D+01  0.337079D+01
      6   0.981796D+01  0.140185D+02  0.889822D+01  0.129114D+01  0.518011D+01
                81            82            83            84            85 
      1  -0.174357D+01 -0.459823D+01  0.937652D+01  0.100751D+01  0.793925D+01
      2   0.210936D+01  0.762115D+01 -0.138777D+02 -0.992913D+00 -0.102654D+02
      3  -0.365794D+00 -0.302292D+01  0.450115D+01 -0.145988D-01  0.232611D+01
      4   0.408261D+01 -0.747178D+01  0.142269D+02  0.201563D+01  0.952081D+01
      5   0.224794D+01 -0.248389D+01  0.352620D+01  0.264554D+01  0.255013D+01
      6   0.321098D+01  0.251096D+01 -0.336958D+01 -0.267126D+01 -0.358840D+01
                86            87            88            89            90 
      1  -0.426579D+02 -0.737281D+01  0.814965D+00 -0.637589D+01 -0.242650D+01
      2   0.561049D+02  0.667746D+01 -0.155626D+01  0.741327D+01  0.249218D+01
      3  -0.134470D+02  0.695358D+00  0.741294D+00 -0.103738D+01 -0.656761D-01
      4  -0.197708D+02 -0.303912D+01  0.150625D+01 -0.128950D+01 -0.211399D+01
      5  -0.617731D+01 -0.270473D+01  0.132259D+01 -0.233181D+01 -0.673233D+00
      6   0.150979D+02  0.927428D+01  0.140663D-01  0.531792D+01  0.236881D+01
                91            92            93            94            95 
      1  -0.307140D+02 -0.163166D+02  0.109621D+02 -0.111421D+02 -0.295144D+01
      2   0.249501D+02  0.139596D+02 -0.574882D+01  0.113613D+02  0.294814D+01
      3   0.576388D+01  0.235698D+01 -0.521330D+01 -0.219266D+00  0.329665D-02
      4  -0.186400D+02 -0.145970D+02  0.270929D+01 -0.233685D+02  0.121070D+02
      5   0.132032D+02  0.223513D+01 -0.213090D+02 -0.836847D+00 -0.247153D+02
      6   0.990083D+00 -0.485921D+01 -0.379201D+00 -0.645559D+01  0.188108D+01
                96            97            98            99           100 
      1  -0.217130D+01  0.276770D+02  0.541978D+01 -0.168217D+02 -0.625809D+02
      2   0.577587D+01 -0.193693D+02  0.392566D+00  0.122459D+02  0.366917D+02
      3  -0.360456D+01 -0.830775D+01 -0.581235D+01  0.457585D+01  0.258892D+02
      4  -0.251558D+02  0.607280D+01 -0.191255D+02 -0.140420D+02  0.191726D+02
      5  -0.697092D+01 -0.375144D+02 -0.146088D+02 -0.277103D+01 -0.285275D+02
      6  -0.890432D+01 -0.699511D+01 -0.319004D+01 -0.676133D+01  0.426695D+01
               101           102           103           104           105 
      1   0.191680D+02 -0.269681D+02 -0.153351D+01  0.979226D+01 -0.231082D+01
      2  -0.137691D+02  0.844355D+01 -0.310492D+01 -0.653161D+01 -0.138900D+02
      3  -0.539889D+01  0.185245D+02  0.463843D+01 -0.326065D+01  0.162008D+02
      4   0.163419D+02 -0.409860D+01  0.204473D+02 -0.147005D+02  0.252704D+02
      5  -0.530822D+01  0.190050D+02 -0.735424D+01  0.257090D+02  0.941948D+01
      6   0.607639D+01 -0.114898D+02  0.844672D+01 -0.109460D+02 -0.358606D+01
               106           107           108           109           110 
      1  -0.190442D+02 -0.635588D+01  0.336299D+02 -0.904098D+02 -0.175404D+02
      2   0.893957D+01 -0.107642D+02 -0.158240D+02  0.341027D+02 -0.378151D-01
      3   0.101046D+02  0.171201D+02 -0.178059D+02  0.563071D+02  0.175782D+02
      4  -0.525797D+01  0.160154D+02  0.146607D+02 -0.332003D+02 -0.261437D+02
      5   0.120527D+02  0.184783D+02 -0.110015D+02  0.131218D+02  0.699627D+01
      6  -0.625551D+01 -0.878720D+01  0.137451D+02  0.167350D+01  0.190545D+01
               111           112           113           114           115 
      1   0.760083D+01 -0.190504D+02 -0.106517D+02  0.324309D+01 -0.373198D+02
      2  -0.122747D+01  0.377473D+01  0.586122D+01 -0.622802D+00  0.277211D+02
      3  -0.637335D+01  0.152756D+02  0.479049D+01 -0.262029D+01  0.959869D+01
      4   0.494444D+01  0.440944D+01 -0.131474D+02  0.211597D+01 -0.446979D+01
      5  -0.100915D+02  0.399011D+01  0.325160D+01 -0.174284D+01  0.304163D+02
      6  -0.276090D+01  0.400584D+01  0.949560D+00  0.279135D+01  0.955367D+01
               116           117           118           119           120 
      1  -0.324545D+01  0.256745D+02  0.114715D+02  0.767900D+01  0.531885D+01
      2   0.432174D+01 -0.722915D+01 -0.908784D+01 -0.547957D+01 -0.502411D+01
      3  -0.107629D+01 -0.184454D+02 -0.238364D+01 -0.219944D+01 -0.294742D+00
      4   0.109663D+01  0.625319D+01  0.139961D+02  0.115179D+02  0.454607D+01
      5   0.628244D+01 -0.126206D+01  0.139869D+02  0.543992D+01  0.155812D+02
      6  -0.150267D+01  0.980766D+00  0.530586D+01  0.290806D+01  0.313695D+01
               121           122           123           124           125 
      1   0.165963D+02  0.694945D+00 -0.903830D+00  0.772747D+01 -0.142898D+01
      2  -0.107510D+02 -0.562285D+00 -0.237586D+01 -0.819344D+01 -0.311920D+01
      3  -0.584533D+01 -0.132660D+00  0.327969D+01  0.465976D+00  0.454819D+01
      4   0.154144D+02  0.186587D+02  0.153424D+02  0.607943D+01  0.154412D+02
      5   0.108509D+02  0.156434D+02  0.150115D+02  0.215819D+02  0.133905D+02
      6   0.468964D+01  0.933386D+01  0.971757D+01  0.498582D+01  0.839624D+01
               126           127           128           129           130 
      1  -0.671811D+00 -0.585027D+01 -0.965152D+01  0.191338D+02 -0.194708D+01
      2  -0.963437D+01  0.300580D+00  0.584903D+01 -0.425292D+01  0.958055D+00
      3   0.103062D+02  0.554969D+01  0.380249D+01 -0.148808D+02  0.989030D+00
      4   0.134737D+02  0.705385D+00 -0.637391D+01  0.257333D+01  0.542957D+00
      5   0.279853D+02  0.397588D+01  0.457239D+01 -0.930747D+01 -0.602249D+00
      6   0.950161D+01 -0.349551D+01 -0.626945D+01  0.999209D+01 -0.131164D+01
               131           132           133           134           135 
      1  -0.117730D+02  0.105928D+02  0.127432D+02  0.132901D+02 -0.349335D+02
      2   0.714460D+01 -0.399790D+01 -0.507200D+01 -0.384154D+01 -0.104099D+01
      3   0.462837D+01 -0.659487D+01 -0.767115D+01 -0.944854D+01  0.359745D+02
      4  -0.692671D+01  0.579661D+01 -0.683904D+01  0.123252D+02 -0.142615D+02
      5   0.558667D+01 -0.968910D+01  0.544975D+01 -0.169922D+02  0.389445D+02
      6  -0.854935D+01  0.128500D+02  0.169513D+00  0.159231D+02 -0.271214D+02
               136           137           138           139           140 
      1   0.830619D+00 -0.696482D+01 -0.164514D+01 -0.716541D+01 -0.129888D+02
      2   0.184548D+01  0.578823D+01  0.234858D+01  0.167909D+01  0.260326D+02
      3  -0.267610D+01  0.117659D+01 -0.703432D+00  0.548632D+01 -0.130438D+02
      4  -0.248626D+01 -0.221090D+01  0.185446D+01  0.876789D+01 -0.284814D+02
      5  -0.282108D+01  0.153722D+00 -0.369626D+01 -0.152677D+00 -0.121241D+02
      6   0.216635D+01 -0.873003D+00  0.275511D+01 -0.421321D+00  0.365971D+01
               141           142           143           144           145 
      1  -0.399582D+01 -0.699757D+01 -0.410233D+01 -0.868377D+01  0.100769D+03
      2   0.111773D+02  0.221738D+01  0.139638D+02  0.987875D+01 -0.533752D+02
      3  -0.718146D+01  0.478019D+01 -0.986144D+01 -0.119498D+01 -0.473937D+02
      4  -0.109533D+02  0.102050D+02 -0.218069D+02 -0.101377D+02 -0.428111D+02
      5  -0.124442D+02 -0.958251D+00 -0.113195D+02 -0.152031D+02  0.384025D+02
      6   0.759777D+01  0.836560D+00  0.592414D+01  0.739437D+01 -0.847416D+01
               146           147           148           149           150 
      1  -0.148112D+02  0.149984D+02 -0.333914D+01  0.746516D+01 -0.125840D+00
      2   0.445225D+01 -0.107830D+02 -0.134081D+01 -0.239434D+01  0.471036D+00
      3   0.103590D+02 -0.421540D+01  0.467995D+01 -0.507083D+01 -0.345195D+00
      4   0.203477D+02 -0.848217D+01  0.122349D+02 -0.406353D+01 -0.338137D-01
      5  -0.784830D+01  0.193365D+02 -0.299448D+00  0.134802D+01 -0.360731D+00
      6   0.463900D+01 -0.499737D+01  0.281871D+01 -0.989700D-01  0.185039D+01
               151           152           153           154           155 
      1   0.107867D+02 -0.797126D+00  0.671148D+01  0.192464D+03  0.323791D+02
      2  -0.863026D+01  0.209101D+01 -0.587837D+01 -0.879339D+02 -0.881355D+01
      3  -0.215645D+01 -0.129388D+01 -0.833114D+00 -0.104530D+03 -0.235655D+02
      4  -0.394479D+01  0.370168D+00 -0.548783D+01  0.522233D+02  0.474601D+02
      5   0.171265D+02 -0.457572D+01  0.991962D+01 -0.335613D+02 -0.916617D+01
      6  -0.362143D+01  0.280027D+01 -0.315301D+01 -0.142729D+01 -0.409268D+01
               156           157           158           159           160 
      1  -0.835543D+01  0.306802D+02  0.341458D+02 -0.130617D+00 -0.937828D+01
      2   0.901896D+01 -0.624615D+01 -0.771171D+01  0.667303D+00  0.934486D+01
      3  -0.663528D+00 -0.244340D+02 -0.264341D+02 -0.536686D+00  0.334215D-01
      4  -0.655463D+01  0.538563D+02  0.373417D+02 -0.435813D+01 -0.542532D+01
      5   0.392546D+02 -0.555570D+01 -0.808963D+01  0.895936D+01  0.371839D+02
      6   0.356193D+01 -0.828965D+01 -0.474821D+01  0.626914D+01  0.442551D+01
               161           162           163           164           165 
      1  -0.115006D+01  0.210702D+02  0.532763D+02  0.100106D+02 -0.181791D+02
      2   0.119432D+01 -0.142273D+02 -0.354249D+02 -0.434531D+01  0.111261D+02
      3  -0.442649D-01 -0.684288D+01 -0.178514D+02 -0.566532D+01  0.705303D+01
      4  -0.309983D+01  0.888387D+01  0.156538D+02  0.756950D+01 -0.113612D+01
      5   0.884874D+01 -0.974194D+01 -0.329663D+02 -0.152823D+01  0.190005D+02
      6   0.558378D+01 -0.219945D+01 -0.572809D+01 -0.789180D+00  0.958718D+00
               166           167           168           169           170 
      1   0.155228D+02 -0.885124D+01  0.101733D+01  0.443270D+01  0.326102D+01
      2  -0.899490D+01  0.258477D+01 -0.100754D+01  0.847473D-01 -0.209288D+01
      3  -0.652789D+01  0.626647D+01 -0.979638D-02 -0.451745D+01 -0.116814D+01
      4   0.534909D+01 -0.147257D+01 -0.906202D+01  0.228359D+01 -0.458596D+01
      5  -0.632195D+01 -0.870058D+01  0.136942D+01  0.109707D+02  0.571489D+00
      6  -0.263066D+01 -0.197324D+01  0.113851D+02 -0.144281D+01  0.999702D+01
               171           172           173           174           175 
      1  -0.328798D+02 -0.503185D+02 -0.497720D+01 -0.214340D+01 -0.131277D+02
      2  -0.106696D+02  0.306629D+02  0.292476D+01 -0.718139D+01  0.922137D+01
      3   0.435494D+02  0.196556D+02  0.205244D+01  0.932479D+01  0.390629D+01
      4  -0.160403D+01 -0.112305D+02 -0.466933D+01  0.115797D+01 -0.190330D+01
      5  -0.373191D+02  0.257237D+02  0.182015D+01 -0.167477D+02  0.647941D+01
      6  -0.211727D+01  0.480034D+01  0.325299D+01 -0.140341D+01  0.174332D+01
               176           177           178           179           180 
      1  -0.452869D+01 -0.137715D+00  0.123217D+02  0.187319D+01 -0.831657D+01
      2   0.280021D+01 -0.241755D+01 -0.113776D+02 -0.161438D+01  0.457791D+01
      3   0.172848D+01  0.255527D+01 -0.944061D+00 -0.258814D+00  0.373866D+01
      4  -0.700931D+00 -0.198426D+01  0.513291D+01  0.857179D+00 -0.180349D+01
      5  -0.155224D+01 -0.496164D+01 -0.108030D+02 -0.105798D+01  0.382599D+01
      6   0.129108D+01  0.211933D+01 -0.183605D+01  0.416442D+00  0.140712D+01
               181           182           183           184           185 
      1   0.323729D+02 -0.523050D+02 -0.671730D+01  0.401045D+02  0.237065D+02
      2  -0.153905D+02  0.427341D+02  0.372722D+01 -0.282485D+02 -0.233514D+02
      3  -0.169824D+02  0.957093D+01  0.299008D+01 -0.118560D+02 -0.355102D+00
      4  -0.896941D+01  0.369717D+02 -0.692435D+00  0.119177D+02 -0.313428D+02
      5  -0.816343D+01 -0.272300D+01  0.809716D+01 -0.123582D+01 -0.107138D+02
      6  -0.616461D+01  0.856334D+00  0.697415D+01 -0.688877D+01 -0.928157D+01
               186           187           188           189           190 
      1   0.608423D+01  0.509406D+01 -0.632065D+01  0.206458D+01  0.120405D+03
      2  -0.639564D+01 -0.128607D+02 -0.183776D+01 -0.783611D+01 -0.637875D+02
      3   0.311412D+00  0.776663D+01  0.815841D+01  0.577153D+01 -0.566178D+02
      4  -0.967137D+01 -0.105634D+02 -0.103894D+02  0.205637D+02  0.156676D+01
      5   0.403993D+01  0.301803D+02  0.170626D+02  0.105346D+02  0.103329D+01
      6   0.124087D+01  0.212568D+02  0.131356D+02  0.555429D+01 -0.266219D+01
               191           192           193           194           195 
      1   0.109058D+02  0.108215D+02  0.561424D+02 -0.441445D+02 -0.665082D+01
      2   0.177374D+01 -0.310454D+01 -0.220952D+02  0.437458D+02  0.106409D+02
      3  -0.126795D+02 -0.771697D+01 -0.340471D+02  0.398707D+00 -0.399004D+01
      4   0.134625D+02  0.175628D+01 -0.436259D+02  0.577726D+02  0.409052D+01
      5   0.289089D+01  0.250792D+01 -0.117868D+02  0.760189D+01  0.257031D+01
      6   0.831930D-01  0.283919D+01 -0.350380D+01  0.803027D+01 -0.287072D+01
               196           197           198           199           200 
      1   0.125264D+02 -0.120172D+02  0.223442D+02 -0.105918D+03  0.186986D+02
      2  -0.717771D+01  0.108337D+02 -0.191070D+02  0.431794D+02 -0.192200D+02
      3  -0.534866D+01  0.118347D+01 -0.323726D+01  0.627384D+02  0.521395D+00
      4  -0.165274D+02  0.920523D+01  0.348361D+01  0.252091D+02 -0.284443D+02
      5   0.448742D+02  0.941945D+01  0.817941D+01 -0.587027D+01 -0.247840D+01
      6   0.177578D+01  0.512783D+01 -0.263238D+01  0.206389D+01 -0.438889D+01
               201           202           203           204           205 
      1  -0.555938D+01 -0.910167D+02  0.127530D+02 -0.279301D+01 -0.275106D+02
      2   0.116219D+01  0.546815D+02 -0.197894D+02 -0.447751D+00  0.161202D+02
      3   0.439719D+01  0.363352D+02  0.703639D+01  0.324077D+01  0.113903D+02
      4  -0.799549D+00  0.218327D+02 -0.199433D+02  0.341410D+01  0.900302D+01
      5   0.630054D+01 -0.257499D+01  0.182091D+01 -0.848976D+01  0.341438D+01
      6  -0.120354D+01  0.597266D+01 -0.705015D+01  0.553459D+01 -0.178079D+01
               206           207           208           209           210 
      1   0.109779D+02 -0.150798D+02  0.206343D+02  0.606343D+01 -0.596016D+00
      2  -0.109666D+02 -0.236415D+01 -0.136474D+02 -0.461635D+01 -0.163524D+01
      3  -0.112453D-01  0.174439D+02 -0.698689D+01 -0.144708D+01  0.223125D+01
      4  -0.480112D+00 -0.175530D+02  0.162738D+02  0.114523D+02 -0.498466D+00
      5  -0.220524D+02 -0.120532D+02  0.563134D+01 -0.138684D+01  0.213991D+02
      6   0.911482D+01 -0.967939D+00  0.509771D+00  0.198633D+01 -0.255046D+01
               211           212           213           214           215 
      1   0.169776D+02  0.376229D+01  0.427692D+01  0.250876D+01 -0.516739D+00
      2  -0.860171D+01 -0.122792D+01 -0.454247D+01 -0.336090D+01 -0.147617D+01
      3  -0.837591D+01 -0.253436D+01  0.265546D+00  0.852146D+00  0.199291D+01
      4   0.264019D+02  0.195657D+02  0.590501D+01  0.324311D+01  0.241088D+01
      5   0.578756D+01  0.428981D+01 -0.108963D+02  0.142630D+02  0.546051D+01
      6   0.688688D+00 -0.108205D+01  0.960337D+01  0.123432D+01  0.389010D+01
               216           217           218           219           220 
      1   0.435505D+01 -0.752042D+02 -0.835339D+01 -0.159761D+02 -0.260658D+02
      2  -0.430701D+01  0.435724D+02  0.123292D+01  0.956476D+01  0.108849D+02
      3  -0.480373D-01  0.316318D+02  0.712047D+01  0.641133D+01  0.151809D+02
      4   0.652741D+01 -0.137984D+02  0.246118D+02 -0.376408D+01  0.130881D+01
      5   0.451263D+01 -0.153164D+02 -0.411214D+01  0.947896D+01 -0.897503D+01
      6   0.233443D+01  0.850867D+00  0.300432D+01 -0.369068D+01  0.578631D+00
               221           222           223           224           225 
      1   0.196644D+02 -0.150412D+02 -0.152600D+02 -0.915672D+01  0.133314D+02
      2  -0.111884D+02  0.114907D+02  0.599066D+01  0.795535D+01 -0.102589D+02
      3  -0.847603D+01  0.355054D+01  0.926939D+01  0.120137D+01 -0.307252D+01
      4   0.265364D+01 -0.137975D+02 -0.589918D+01 -0.830128D+01  0.342120D+02
      5  -0.138436D+02  0.554950D+02 -0.119991D+02  0.351721D+02  0.275650D+02
      6   0.677013D+01 -0.202569D+02  0.814201D+01 -0.143954D+02 -0.538590D+01
               226           227           228           229           230 
      1  -0.776043D+01  0.165327D+02  0.148204D+01  0.827140D+01 -0.503934D+02
      2   0.885188D+01 -0.186041D+02 -0.145090D+01 -0.902499D+01  0.638397D+02
      3  -0.109145D+01  0.207132D+01 -0.311405D-01  0.753593D+00 -0.134462D+02
      4  -0.219323D+01  0.472990D+01  0.769688D+00  0.291016D+01  0.123777D+02
      5  -0.782635D+00  0.133123D+01  0.100602D+01  0.276360D+00 -0.684319D+00
      6   0.750346D+00 -0.123820D+01 -0.248351D+01 -0.156138D+01  0.764888D+01
               231           232           233           234           235 
      1  -0.722388D+01  0.231926D+00 -0.681085D+01 -0.167986D+01  0.253045D+02
      2   0.699904D+01 -0.927564D+00  0.810276D+01  0.234575D+01 -0.349581D+01
      3   0.224838D+00  0.695638D+00 -0.129191D+01 -0.665883D+00 -0.218087D+02
      4   0.141149D+01 -0.841371D-01  0.267634D+01 -0.712246D+00  0.426780D+02
      5   0.139336D+01  0.206260D+01 -0.447871D+00  0.221365D+00  0.100202D+02
      6   0.821714D+01  0.563365D+00  0.405254D+01  0.185425D+01  0.610285D+01
               236           237           238           239           240 
      1   0.131492D+02  0.415774D+01  0.114749D+02  0.244253D+01  0.742580D+00
      2   0.369681D+01 -0.975452D+00  0.925423D+01  0.207298D+02  0.261485D+01
      3  -0.168460D+02 -0.318229D+01 -0.207291D+02 -0.231723D+02 -0.335743D+01
      4   0.372657D+02  0.943890D+01  0.447776D+02  0.545959D+02  0.120793D+02
      5   0.719831D+01  0.798112D+01  0.926831D+01  0.919451D+01  0.881642D+01
      6   0.524197D+01  0.487411D+01  0.764391D+01  0.942564D+01  0.792881D+01
               241           242           243           244           245 
      1   0.533575D+01  0.174392D+01 -0.620161D+00  0.599787D+01 -0.979389D+01
      2   0.124062D+01  0.304406D+01  0.181927D+01 -0.231771D+00  0.238913D+01
      3  -0.657637D+01 -0.478798D+01 -0.119911D+01 -0.576610D+01  0.740476D+01
      4   0.130551D+02  0.129627D+02  0.638693D+01 -0.165583D+02  0.144990D+02
      5   0.215207D+01  0.475159D+01  0.356290D+01 -0.250342D+01  0.115676D+01
      6   0.101579D+01  0.467738D+01  0.293985D+01  0.687188D+00 -0.128968D-01
               246           247           248           249           250 
      1  -0.119971D+01 -0.122999D+02 -0.307518D+01 -0.109169D+01 -0.162759D+01
      2   0.506225D+00 -0.162649D+00  0.155604D+02  0.825863D+00  0.461855D+00
      3   0.693481D+00  0.124625D+02 -0.124852D+02  0.265828D+00  0.116574D+01
      4   0.619910D+00  0.254792D+02 -0.382334D+02 -0.397797D+01  0.263388D+01
      5   0.148710D+01  0.342848D+01 -0.639350D+01 -0.504242D+01  0.119823D+01
      6  -0.737736D+00 -0.141428D+01  0.317097D+01  0.448467D+01 -0.197507D+01
               251           252           253           254           255 
      1  -0.174101D+01 -0.135332D+01  0.195543D+03 -0.316162D+01  0.169496D+02
      2   0.245024D+01  0.190908D+01 -0.102615D+03 -0.290389D+00 -0.989766D+01
      3  -0.709231D+00 -0.555756D+00 -0.929279D+02  0.345201D+01 -0.705196D+01
      4  -0.546014D+01 -0.786982D+00 -0.201228D+02  0.157577D+02 -0.180388D+01
      5  -0.130782D+00 -0.482625D+00  0.191420D+02 -0.417777D+00  0.192668D+02
      6   0.161513D+01  0.111458D+01 -0.312658D+01  0.755564D+00 -0.248888D+01
               256           257           258           259           260 
      1   0.224031D+02  0.144601D+02  0.258519D+01  0.222128D+02  0.434181D+00
      2  -0.139808D+02 -0.738841D+01 -0.203921D+01 -0.130290D+02 -0.892023D+00
      3  -0.842224D+01 -0.707169D+01 -0.545982D+00 -0.918389D+01  0.457842D+00
      4   0.157042D+02  0.423548D+01  0.310143D+01 -0.262326D+01  0.375063D+01
      5   0.175659D+01  0.334984D+01  0.759637D+00  0.234172D+02 -0.319605D+01
      6   0.501284D+00 -0.438802D+00  0.156339D+01 -0.258275D+01  0.237837D+01
               261           262           263           264           265 
      1   0.162011D+02  0.647163D+01 -0.231617D+01 -0.930227D+01 -0.414318D+01
      2  -0.961079D+01 -0.390925D+01  0.193690D+01  0.381343D+01  0.302387D+00
      3  -0.659033D+01 -0.256238D+01  0.379273D+00  0.548884D+01  0.384079D+01
      4  -0.424260D+01  0.131135D-01 -0.188055D+01  0.377334D+01  0.159365D+02
      5   0.538198D+01 -0.876308D+01  0.263466D+01 -0.247382D+01  0.121054D+02
      6  -0.549619D+00  0.254927D+01 -0.515277D+00  0.207232D+01 -0.419066D+01
               266           267           268           269           270 
      1   0.107519D+01  0.304975D+01 -0.325438D+02  0.849486D+01  0.155626D+01
      2   0.302166D+01  0.715682D+00  0.179089D+02 -0.235492D+01 -0.658061D+01
      3  -0.409686D+01 -0.376543D+01  0.146349D+02 -0.613994D+01  0.502436D+01
      4  -0.188979D+02 -0.151917D+02  0.247234D+02 -0.217187D+02 -0.228732D+02
      5  -0.154838D+02 -0.228448D+02  0.307936D+02 -0.235283D+02 -0.611903D+02
      6   0.609515D+01  0.103215D+02 -0.916402D+01  0.102979D+02  0.169104D+02
               271           272           273           274           275 
      1  -0.631359D+01 -0.515117D+01  0.118758D+02 -0.916309D+01 -0.665549D+01
      2   0.294391D+01  0.479142D+01 -0.589940D+01  0.175670D+01  0.134250D+02
      3   0.336968D+01  0.359756D+00 -0.597637D+01  0.740639D+01 -0.676951D+01
      4   0.372563D+01 -0.761625D+01  0.277631D+01  0.211179D+02 -0.388459D+02
      5   0.593724D+01  0.366751D+01 -0.936216D+01 -0.900178D+01  0.232510D+02
      6  -0.154009D+01 -0.338048D+01  0.518712D+01  0.532131D+01 -0.139118D+02
               276           277           278           279 
      1   0.713933D+01  0.216718D+02  0.241683D+01 -0.933019D+01
      2  -0.785956D+01 -0.954838D+01 -0.462739D+01  0.267243D+01
      3   0.720233D+00 -0.121235D+02  0.221056D+01  0.665776D+01
      4   0.242544D+02 -0.170588D+02  0.254243D+02 -0.246181D+02
      5  -0.268011D+02  0.156901D+02 -0.247010D+02  0.323423D+02
      6   0.137079D+02 -0.704344D+01  0.134738D+02 -0.147710D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 20:13:59 2021, MaxMem=  5368709120 cpu:           29708.8 elap:            3722.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31158 -19.31044 -19.24828 -10.43374 -10.37927
 Alpha  occ. eigenvalues --  -10.36547 -10.33297 -10.32885 -10.32856 -10.32405
 Alpha  occ. eigenvalues --  -10.32147 -10.32113 -10.31885 -10.31818 -10.31569
 Alpha  occ. eigenvalues --  -10.31232 -10.30788  -1.19686  -1.17759  -1.11297
 Alpha  occ. eigenvalues --   -0.99300  -0.94806  -0.90474  -0.88272  -0.85564
 Alpha  occ. eigenvalues --   -0.83076  -0.80707  -0.76164  -0.73144  -0.71317
 Alpha  occ. eigenvalues --   -0.70783  -0.69471  -0.64076  -0.63151  -0.62161
 Alpha  occ. eigenvalues --   -0.60475  -0.57668  -0.57323  -0.55993  -0.55407
 Alpha  occ. eigenvalues --   -0.55122  -0.53960  -0.52696  -0.52671  -0.51090
 Alpha  occ. eigenvalues --   -0.50547  -0.50004  -0.48696  -0.47576  -0.46448
 Alpha  occ. eigenvalues --   -0.46220  -0.45732  -0.44338  -0.43786  -0.42418
 Alpha  occ. eigenvalues --   -0.40712  -0.40562  -0.38795  -0.35921  -0.32403
 Alpha  occ. eigenvalues --   -0.29982
 Alpha virt. eigenvalues --    0.00355   0.03199   0.06566   0.07361   0.07785
 Alpha virt. eigenvalues --    0.08220   0.09302   0.10555   0.10814   0.11382
 Alpha virt. eigenvalues --    0.12064   0.13045   0.13327   0.14285   0.14431
 Alpha virt. eigenvalues --    0.15168   0.15786   0.16452   0.16927   0.17146
 Alpha virt. eigenvalues --    0.17921   0.18438   0.18837   0.19075   0.19365
 Alpha virt. eigenvalues --    0.19851   0.20755   0.21491   0.21879   0.22230
 Alpha virt. eigenvalues --    0.22726   0.22931   0.23287   0.23928   0.24565
 Alpha virt. eigenvalues --    0.24947   0.25409   0.25795   0.26259   0.26769
 Alpha virt. eigenvalues --    0.27452   0.27855   0.28253   0.28473   0.29306
 Alpha virt. eigenvalues --    0.29924   0.30396   0.30676   0.30954   0.31114
 Alpha virt. eigenvalues --    0.31770   0.32382   0.32940   0.33705   0.34003
 Alpha virt. eigenvalues --    0.34475   0.34795   0.35157   0.35863   0.36032
 Alpha virt. eigenvalues --    0.36480   0.36535   0.37229   0.37537   0.37631
 Alpha virt. eigenvalues --    0.38302   0.38588   0.39092   0.39250   0.39869
 Alpha virt. eigenvalues --    0.40175   0.40466   0.40966   0.41115   0.41477
 Alpha virt. eigenvalues --    0.42011   0.42331   0.42704   0.43092   0.43210
 Alpha virt. eigenvalues --    0.43415   0.43649   0.43798   0.44100   0.44786
 Alpha virt. eigenvalues --    0.44903   0.45308   0.45604   0.46080   0.46666
 Alpha virt. eigenvalues --    0.47003   0.47322   0.47640   0.48143   0.48396
 Alpha virt. eigenvalues --    0.48829   0.49462   0.49488   0.49748   0.50106
 Alpha virt. eigenvalues --    0.50702   0.50979   0.51145   0.51400   0.51914
 Alpha virt. eigenvalues --    0.52825   0.52944   0.53404   0.53802   0.54403
 Alpha virt. eigenvalues --    0.54923   0.54969   0.55256   0.56291   0.56467
 Alpha virt. eigenvalues --    0.56743   0.56977   0.57106   0.57796   0.58539
 Alpha virt. eigenvalues --    0.58960   0.59330   0.59537   0.60002   0.60357
 Alpha virt. eigenvalues --    0.60960   0.61237   0.62330   0.62750   0.63409
 Alpha virt. eigenvalues --    0.63784   0.64140   0.64745   0.65187   0.66074
 Alpha virt. eigenvalues --    0.66200   0.66518   0.67140   0.67624   0.67743
 Alpha virt. eigenvalues --    0.68202   0.68839   0.69987   0.70196   0.70980
 Alpha virt. eigenvalues --    0.71501   0.71998   0.72275   0.73092   0.73370
 Alpha virt. eigenvalues --    0.73629   0.74062   0.74807   0.75125   0.75860
 Alpha virt. eigenvalues --    0.76326   0.77223   0.77532   0.78528   0.79209
 Alpha virt. eigenvalues --    0.79293   0.80110   0.80613   0.81002   0.81902
 Alpha virt. eigenvalues --    0.82020   0.82811   0.83026   0.83713   0.84016
 Alpha virt. eigenvalues --    0.85727   0.85977   0.86457   0.86733   0.86823
 Alpha virt. eigenvalues --    0.88140   0.90234   0.90467   0.90996   0.91676
 Alpha virt. eigenvalues --    0.91923   0.92833   0.93407   0.94993   0.95115
 Alpha virt. eigenvalues --    0.96094   0.96723   0.98331   0.99180   1.00104
 Alpha virt. eigenvalues --    1.00852   1.01533   1.03021   1.03787   1.04076
 Alpha virt. eigenvalues --    1.05035   1.05296   1.06171   1.06912   1.07171
 Alpha virt. eigenvalues --    1.08347   1.09247   1.09515   1.09893   1.10189
 Alpha virt. eigenvalues --    1.10802   1.11726   1.11955   1.12099   1.12903
 Alpha virt. eigenvalues --    1.13574   1.15476   1.15643   1.17627   1.19292
 Alpha virt. eigenvalues --    1.19625   1.20934   1.22331   1.22759   1.23338
 Alpha virt. eigenvalues --    1.24064   1.25303   1.27126   1.27326   1.27739
 Alpha virt. eigenvalues --    1.28300   1.29945   1.30317   1.31435   1.32575
 Alpha virt. eigenvalues --    1.32836   1.34319   1.34833   1.36474   1.36914
 Alpha virt. eigenvalues --    1.38318   1.39431   1.40331   1.41300   1.42384
 Alpha virt. eigenvalues --    1.43273   1.44338   1.45103   1.45873   1.47226
 Alpha virt. eigenvalues --    1.48222   1.50418   1.50680   1.52139   1.54094
 Alpha virt. eigenvalues --    1.54929   1.56494   1.57130   1.57605   1.58545
 Alpha virt. eigenvalues --    1.59981   1.60824   1.62412   1.63700   1.64592
 Alpha virt. eigenvalues --    1.66879   1.67745   1.68176   1.68705   1.69863
 Alpha virt. eigenvalues --    1.70874   1.71694   1.72804   1.74150   1.74815
 Alpha virt. eigenvalues --    1.75078   1.75965   1.76889   1.78436   1.78847
 Alpha virt. eigenvalues --    1.80035   1.80442   1.82693   1.83657   1.85243
 Alpha virt. eigenvalues --    1.86025   1.87247   1.87292   1.89330   1.91255
 Alpha virt. eigenvalues --    1.92786   1.93474   1.94733   1.95282   1.95847
 Alpha virt. eigenvalues --    1.96298   1.97508   1.97884   1.98609   2.00227
 Alpha virt. eigenvalues --    2.01006   2.01780   2.02694   2.03496   2.04927
 Alpha virt. eigenvalues --    2.06458   2.06986   2.07542   2.09304   2.09627
 Alpha virt. eigenvalues --    2.11564   2.11698   2.12333   2.13223   2.14893
 Alpha virt. eigenvalues --    2.15302   2.16100   2.16186   2.18111   2.19003
 Alpha virt. eigenvalues --    2.19778   2.20568   2.21306   2.21873   2.24611
 Alpha virt. eigenvalues --    2.27081   2.28506   2.29307   2.30761   2.31660
 Alpha virt. eigenvalues --    2.32127   2.32590   2.35581   2.36829   2.37247
 Alpha virt. eigenvalues --    2.38240   2.38624   2.39506   2.42014   2.43963
 Alpha virt. eigenvalues --    2.44275   2.46108   2.47311   2.48659   2.49477
 Alpha virt. eigenvalues --    2.50996   2.52326   2.52573   2.53812   2.54679
 Alpha virt. eigenvalues --    2.55290   2.58869   2.59621   2.61905   2.63771
 Alpha virt. eigenvalues --    2.64826   2.65072   2.65830   2.67295   2.69040
 Alpha virt. eigenvalues --    2.72655   2.74429   2.76232   2.78184   2.81407
 Alpha virt. eigenvalues --    2.86528   2.87395   2.90980   2.94023   2.95517
 Alpha virt. eigenvalues --    2.96684   2.98751   3.00029   3.00290   3.02217
 Alpha virt. eigenvalues --    3.02959   3.03304   3.04402   3.05852   3.08111
 Alpha virt. eigenvalues --    3.09171   3.12112   3.13080   3.16542   3.17170
 Alpha virt. eigenvalues --    3.18397   3.19805   3.20458   3.22822   3.23651
 Alpha virt. eigenvalues --    3.24331   3.28434   3.29230   3.30495   3.34708
 Alpha virt. eigenvalues --    3.35728   3.41328   3.54634   3.55952   3.68375
 Alpha virt. eigenvalues --    3.68761   3.71588   3.88719   3.93057   4.09081
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.511479  -1.418204  -1.229549   0.031222  -0.413690  -0.262266
     2  C   -1.418204  11.469202   0.288900  -0.888991   0.434696  -0.858225
     3  C   -1.229549   0.288900   8.688144  -0.581321  -0.040606  -0.252751
     4  C    0.031222  -0.888991  -0.581321  10.693417  -0.803411   0.532099
     5  C   -0.413690   0.434696  -0.040606  -0.803411   8.818368  -0.506935
     6  C   -0.262266  -0.858225  -0.252751   0.532099  -0.506935   8.239362
     7  C   -0.409316  -0.555652  -0.373003   0.103596   0.050701   0.166156
     8  H   -0.820528   0.151155  -0.072815  -1.351613   0.143146   0.130220
     9  H    0.164479  -0.078380   0.040563  -0.765516   0.196836  -0.694178
    10  H    0.131070  -0.903285   0.100049   0.009269  -0.841944  -0.063822
    11  C    0.038487   0.143770  -0.539173  -0.383083  -0.631202   0.065381
    12  C    0.000404  -0.006852  -0.017944  -0.020093   0.081479  -0.001598
    13  C   -0.029150   0.003948   0.050740   0.296613   0.011620  -0.001148
    14  H    0.006097   0.012015   0.019186  -0.106245  -0.186535   0.028849
    15  H    0.007065   0.000100  -0.061933   0.007346   0.001738  -0.000603
    16  H   -0.006306  -0.000939   0.017123  -0.085075   0.010069   0.000127
    17  H   -0.001188  -0.000153   0.026459   0.012369  -0.007658   0.000244
    18  O    0.002217  -0.001493  -0.000012  -0.031182   0.012693  -0.004383
    19  O    0.009615   0.000856  -0.008194  -0.027668  -0.007236   0.007548
    20  H   -0.004235  -0.004939   0.023943  -0.028184  -0.019047   0.001371
    21  C    0.163107  -0.409232   0.044550  -0.005976  -0.003734  -0.028919
    22  C   -0.759332   0.240234   0.059497   0.018539   0.001096   0.098608
    23  C   -0.163442  -0.717117   0.011694   0.136368   0.024871  -0.731752
    24  O    0.050570   0.018208  -0.006016  -0.001061   0.000058  -0.004739
    25  C   -0.006577   0.004538   0.000133  -0.000138   0.000235  -0.005957
    26  H   -0.273310   0.116975  -0.058862   0.014063  -0.013707  -0.010159
    27  H   -0.025071   0.033173   0.003823   0.000714   0.000670   0.001194
    28  H    0.095460  -0.286152   0.000419  -0.009057   0.027538   0.070028
    29  H   -0.000880  -0.002212   0.000019   0.000003  -0.000005   0.000104
    30  H    0.000054   0.004190  -0.000065  -0.000003   0.000058  -0.000483
    31  H   -0.000072   0.003482  -0.000002  -0.000006   0.000120  -0.000997
               7          8          9         10         11         12
     1  C   -0.409316  -0.820528   0.164479   0.131070   0.038487   0.000404
     2  C   -0.555652   0.151155  -0.078380  -0.903285   0.143770  -0.006852
     3  C   -0.373003  -0.072815   0.040563   0.100049  -0.539173  -0.017944
     4  C    0.103596  -1.351613  -0.765516   0.009269  -0.383083  -0.020093
     5  C    0.050701   0.143146   0.196836  -0.841944  -0.631202   0.081479
     6  C    0.166156   0.130220  -0.694178  -0.063822   0.065381  -0.001598
     7  C    7.580493  -0.206722  -0.002739   0.003150   0.007073  -0.004815
     8  H   -0.206722   3.161560   0.023466  -0.014437  -0.092377  -0.044870
     9  H   -0.002739   0.023466   3.228362  -0.716695  -0.477863   0.021816
    10  H    0.003150  -0.014437  -0.716695   2.918171   0.032669  -0.000337
    11  C    0.007073  -0.092377  -0.477863   0.032669   7.703273   0.279131
    12  C   -0.004815  -0.044870   0.021816  -0.000337   0.279131   4.186666
    13  C    0.000717  -0.010730   0.053424   0.000164  -0.562831  -0.001400
    14  H   -0.000061  -0.000653  -0.135801   0.004660   0.378914  -0.082891
    15  H   -0.000192  -0.071709   0.003000   0.000036   0.132535   0.299628
    16  H   -0.003393   0.035479   0.002402  -0.000020   0.045577   0.305104
    17  H    0.000349   0.012722  -0.001626   0.000002   0.212972   0.140869
    18  O   -0.000197   0.001112   0.002086  -0.000491   0.026945   0.023963
    19  O    0.000067  -0.005440  -0.014300   0.000796   0.079928  -0.008204
    20  H    0.001075  -0.008945   0.001340  -0.000093  -0.062937   0.003135
    21  C   -0.113250   0.041532   0.000978  -0.018717   0.000526   0.000104
    22  C    0.471426   0.003717   0.000758  -0.026973  -0.000679  -0.000060
    23  C   -0.362016  -0.009142   0.001639  -0.159393   0.001039  -0.000273
    24  O   -0.004012  -0.000838   0.000023   0.000746   0.000003  -0.000000
    25  C   -0.004024  -0.000009  -0.000000  -0.001008  -0.000007   0.000000
    26  H   -0.503379  -0.167704   0.000354   0.000275   0.001671  -0.001775
    27  H    0.005001   0.002656  -0.000018   0.000431  -0.000055   0.000016
    28  H    0.054970   0.001846  -0.001943  -0.038933   0.000076  -0.000018
    29  H    0.000176   0.000000   0.000000   0.000026  -0.000000  -0.000000
    30  H    0.000264  -0.000002   0.000002  -0.000380  -0.000001   0.000000
    31  H    0.000170  -0.000001   0.000005  -0.000573  -0.000001   0.000000
              13         14         15         16         17         18
     1  C   -0.029150   0.006097   0.007065  -0.006306  -0.001188   0.002217
     2  C    0.003948   0.012015   0.000100  -0.000939  -0.000153  -0.001493
     3  C    0.050740   0.019186  -0.061933   0.017123   0.026459  -0.000012
     4  C    0.296613  -0.106245   0.007346  -0.085075   0.012369  -0.031182
     5  C    0.011620  -0.186535   0.001738   0.010069  -0.007658   0.012693
     6  C   -0.001148   0.028849  -0.000603   0.000127   0.000244  -0.004383
     7  C    0.000717  -0.000061  -0.000192  -0.003393   0.000349  -0.000197
     8  H   -0.010730  -0.000653  -0.071709   0.035479   0.012722   0.001112
     9  H    0.053424  -0.135801   0.003000   0.002402  -0.001626   0.002086
    10  H    0.000164   0.004660   0.000036  -0.000020   0.000002  -0.000491
    11  C   -0.562831   0.378914   0.132535   0.045577   0.212972   0.026945
    12  C   -0.001400  -0.082891   0.299628   0.305104   0.140869   0.023963
    13  C    5.782093  -0.046094  -0.035502  -0.009313   0.018353  -0.018464
    14  H   -0.046094   0.866510  -0.013018  -0.027421   0.024661  -0.040487
    15  H   -0.035502  -0.013018   0.739011   0.018421  -0.128625   0.009155
    16  H   -0.009313  -0.027421   0.018421   0.600498  -0.033140   0.010195
    17  H    0.018353   0.024661  -0.128625  -0.033140   0.871484  -0.016672
    18  O   -0.018464  -0.040487   0.009155   0.010195  -0.016672   8.459882
    19  O   -0.184657   0.022949   0.004878  -0.002623  -0.000511   0.064814
    20  H    0.142044  -0.005780   0.000428   0.003468  -0.000298  -0.009282
    21  C    0.000079   0.000024   0.000001   0.000142  -0.000006   0.000001
    22  C    0.000331  -0.000018  -0.000013   0.000017   0.000002  -0.000016
    23  C   -0.000267   0.000011   0.000003  -0.000025  -0.000004   0.000053
    24  O   -0.000017  -0.000000   0.000000  -0.000001   0.000000   0.000001
    25  C   -0.000001  -0.000000  -0.000000   0.000000   0.000000   0.000000
    26  H    0.000708  -0.000034  -0.000120  -0.001641   0.000042  -0.000051
    27  H   -0.000002  -0.000000  -0.000001   0.000007  -0.000000   0.000000
    28  H   -0.000061   0.000006  -0.000002  -0.000000  -0.000000   0.000002
    29  H    0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    30  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
    31  H   -0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
              19         20         21         22         23         24
     1  C    0.009615  -0.004235   0.163107  -0.759332  -0.163442   0.050570
     2  C    0.000856  -0.004939  -0.409232   0.240234  -0.717117   0.018208
     3  C   -0.008194   0.023943   0.044550   0.059497   0.011694  -0.006016
     4  C   -0.027668  -0.028184  -0.005976   0.018539   0.136368  -0.001061
     5  C   -0.007236  -0.019047  -0.003734   0.001096   0.024871   0.000058
     6  C    0.007548   0.001371  -0.028919   0.098608  -0.731752  -0.004739
     7  C    0.000067   0.001075  -0.113250   0.471426  -0.362016  -0.004012
     8  H   -0.005440  -0.008945   0.041532   0.003717  -0.009142  -0.000838
     9  H   -0.014300   0.001340   0.000978   0.000758   0.001639   0.000023
    10  H    0.000796  -0.000093  -0.018717  -0.026973  -0.159393   0.000746
    11  C    0.079928  -0.062937   0.000526  -0.000679   0.001039   0.000003
    12  C   -0.008204   0.003135   0.000104  -0.000060  -0.000273  -0.000000
    13  C   -0.184657   0.142044   0.000079   0.000331  -0.000267  -0.000017
    14  H    0.022949  -0.005780   0.000024  -0.000018   0.000011  -0.000000
    15  H    0.004878   0.000428   0.000001  -0.000013   0.000003   0.000000
    16  H   -0.002623   0.003468   0.000142   0.000017  -0.000025  -0.000001
    17  H   -0.000511  -0.000298  -0.000006   0.000002  -0.000004   0.000000
    18  O    0.064814  -0.009282   0.000001  -0.000016   0.000053   0.000001
    19  O    8.294013   0.168570   0.000042  -0.000093   0.000029   0.000001
    20  H    0.168570   0.508824  -0.000244   0.000025  -0.000118  -0.000003
    21  C    0.000042  -0.000244   7.548252  -0.611855   0.088810   0.007127
    22  C   -0.000093   0.000025  -0.611855   8.111623  -0.739965  -0.184439
    23  C    0.000029  -0.000118   0.088810  -0.739965   8.784514   0.223454
    24  O    0.000001  -0.000003   0.007127  -0.184439   0.223454   8.767254
    25  C    0.000000   0.000000   0.000955   0.092706   0.033914   0.104286
    26  H   -0.000833   0.000062  -0.509704   0.094937   0.052055   0.009325
    27  H    0.000007  -0.000001  -0.021101  -0.350374   0.026570   0.077955
    28  H   -0.000000  -0.000006   0.074329  -0.757886  -0.665940  -0.196238
    29  H   -0.000000  -0.000000   0.009238   0.023186   0.048727  -0.193129
    30  H    0.000000  -0.000000  -0.000016   0.017030   0.005763   0.089461
    31  H    0.000000   0.000000   0.000056   0.013502   0.008638   0.088281
              25         26         27         28         29         30
     1  C   -0.006577  -0.273310  -0.025071   0.095460  -0.000880   0.000054
     2  C    0.004538   0.116975   0.033173  -0.286152  -0.002212   0.004190
     3  C    0.000133  -0.058862   0.003823   0.000419   0.000019  -0.000065
     4  C   -0.000138   0.014063   0.000714  -0.009057   0.000003  -0.000003
     5  C    0.000235  -0.013707   0.000670   0.027538  -0.000005   0.000058
     6  C   -0.005957  -0.010159   0.001194   0.070028   0.000104  -0.000483
     7  C   -0.004024  -0.503379   0.005001   0.054970   0.000176   0.000264
     8  H   -0.000009  -0.167704   0.002656   0.001846   0.000000  -0.000002
     9  H   -0.000000   0.000354  -0.000018  -0.001943   0.000000   0.000002
    10  H   -0.001008   0.000275   0.000431  -0.038933   0.000026  -0.000380
    11  C   -0.000007   0.001671  -0.000055   0.000076  -0.000000  -0.000001
    12  C    0.000000  -0.001775   0.000016  -0.000018  -0.000000   0.000000
    13  C   -0.000001   0.000708  -0.000002  -0.000061   0.000000   0.000000
    14  H   -0.000000  -0.000034  -0.000000   0.000006  -0.000000  -0.000000
    15  H   -0.000000  -0.000120  -0.000001  -0.000002  -0.000000  -0.000000
    16  H    0.000000  -0.001641   0.000007  -0.000000   0.000000  -0.000000
    17  H    0.000000   0.000042  -0.000000  -0.000000   0.000000   0.000000
    18  O    0.000000  -0.000051   0.000000   0.000002  -0.000000   0.000000
    19  O    0.000000  -0.000833   0.000007  -0.000000  -0.000000   0.000000
    20  H    0.000000   0.000062  -0.000001  -0.000006  -0.000000  -0.000000
    21  C    0.000955  -0.509704  -0.021101   0.074329   0.009238  -0.000016
    22  C    0.092706   0.094937  -0.350374  -0.757886   0.023186   0.017030
    23  C    0.033914   0.052055   0.026570  -0.665940   0.048727   0.005763
    24  O    0.104286   0.009325   0.077955  -0.196238  -0.193129   0.089461
    25  C    4.111769   0.000752  -0.016475  -0.035806   0.451815   0.225267
    26  H    0.000752   2.084203  -0.191943  -0.007337  -0.000020   0.000056
    27  H   -0.016475  -0.191943   1.320027   0.016465  -0.000065   0.000320
    28  H   -0.035806  -0.007337   0.016465   2.416688   0.056538  -0.036550
    29  H    0.451815  -0.000020  -0.000065   0.056538   1.457695  -0.164786
    30  H    0.225267   0.000056   0.000320  -0.036550  -0.164786   0.663181
    31  H    0.226551   0.000054   0.000341  -0.032804  -0.163835   0.012503
              31
     1  C   -0.000072
     2  C    0.003482
     3  C   -0.000002
     4  C   -0.000006
     5  C    0.000120
     6  C   -0.000997
     7  C    0.000170
     8  H   -0.000001
     9  H    0.000005
    10  H   -0.000573
    11  C   -0.000001
    12  C    0.000000
    13  C   -0.000000
    14  H   -0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O    0.000000
    19  O    0.000000
    20  H    0.000000
    21  C    0.000056
    22  C    0.013502
    23  C    0.008638
    24  O    0.088281
    25  C    0.226551
    26  H    0.000054
    27  H    0.000341
    28  H   -0.032804
    29  H   -0.163835
    30  H    0.012503
    31  H    0.659801
 Mulliken charges:
               1
     1  C   -0.388212
     2  C   -0.793619
     3  C   -0.132996
     4  C   -0.766995
     5  C   -0.340283
     6  C    0.087624
     7  C    0.097388
     8  H    0.169925
     9  H    0.147527
    10  H    0.585589
    11  C   -0.399762
    12  C    0.848812
    13  C    0.538799
    14  H    0.281157
    15  H    0.088372
    16  H    0.121268
    17  H   -0.130646
    18  O   -0.490387
    19  O   -0.394357
    20  H    0.289826
    21  C   -0.257102
    22  C    0.184468
    23  C    0.101302
    24  O   -0.846260
    25  C    0.817082
    26  H    0.365049
    27  H    0.115735
    28  H    0.254368
    29  H   -0.522596
    30  H    0.184136
    31  H    0.184787
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.388212
     2  C   -0.793619
     3  C    0.036929
     4  C   -0.766995
     5  C   -0.192756
     6  C    0.673213
     7  C    0.462437
    11  C   -0.118605
    12  C    0.927807
    13  C    0.538799
    18  O   -0.490387
    19  O   -0.104531
    21  C   -0.141367
    22  C    0.184468
    23  C    0.355670
    24  O   -0.846260
    25  C    0.663409
 Electronic spatial extent (au):  <R**2>=           5436.5522
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4644    Y=              0.3261    Z=             -2.0643  Tot=              5.8504
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -116.2002   YY=            -90.7474   ZZ=           -105.1066
   XY=            -14.3007   XZ=             10.6704   YZ=              3.1606
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.1821   YY=             13.2707   ZZ=             -1.0885
   XY=            -14.3007   XZ=             10.6704   YZ=              3.1606
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            224.1178  YYY=             -0.1423  ZZZ=              3.6746  XYY=             10.3525
  XXY=             -1.3189  XXZ=            -46.5174  XZZ=              3.8072  YZZ=             -0.2338
  YYZ=              1.3334  XYZ=             -5.4414
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6359.9194 YYYY=           -767.2322 ZZZZ=           -416.0838 XXXY=           -391.1793
 XXXZ=            203.3954 YYYX=             15.8269 YYYZ=             17.2675 ZZZX=             11.5613
 ZZZY=             -4.4287 XXYY=          -1071.4971 XXZZ=          -1106.0706 YYZZ=           -209.8774
 XXYZ=             27.7981 YYXZ=              7.5613 ZZXY=            -10.2037
 N-N= 1.136386951225D+03 E-N=-4.054847145372D+03  KE= 7.586660164683D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 20:14:00 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -7.6987   -7.7018        4.2192    4.2286
 2      7.6987    7.7018       -4.3129   -4.3116      -60.7764  -60.7873
 3     -4.2192   -4.2286       87.9176   87.9204        4.3130    4.3116
 4      4.3130    4.3116        0.0000    0.0000       -4.2232   -4.2286
 5    -27.1411  -27.1331        4.2232    4.2286       -7.6998   -7.7018
 6     -4.3130   -4.3116        7.6998    7.7018       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       23.1053   23.1053       12.6858   12.6858
 2     12.9349   12.9349       -0.0000    0.0000       12.6858   12.6858
 3     12.9349   12.9349       23.1053   23.1053       -0.0000    0.0000
 4     23.1053   23.1053      -12.9349  -12.9349     -182.3618 -182.3618
 5    -12.6858  -12.6858      263.7611  263.7611       12.9349   12.9349
 6    -81.3993  -81.3993       12.6858   12.6858      -23.1053  -23.1053
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0934    0.0000       30.4137   30.8071      -15.9565  -16.9144
 2    -31.2914  -30.8071       16.8094   17.2466      243.2154  243.1491
 3     16.5073   16.9144     -350.8267 -351.6815      -17.0830  -17.2466
 4    -16.8431  -17.2466        0.2277    0.0000       17.1523   16.9144
 5    108.5842  108.5324      -16.9494  -16.9144       30.7735   30.8071
 6     17.1042   17.2466      -30.9345  -30.8071        0.1938    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3379    0.0000       38.5686   38.8114      -35.1228  -34.5078
 2    -38.6069  -38.8114      -70.9014  -71.2896      -36.3439  -36.3692
 3     34.6908   34.5078      -35.7828  -36.5501       72.7362   71.2896
 4     71.4146   71.2896        0.4324    0.0000       34.8955   34.5078
 5     72.7745   72.9193      -35.0333  -34.5078       37.9766   38.8114
 6    -71.7474  -71.2896      -38.8339  -38.8114        0.1795    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     41.2862   41.3836       45.8460   45.4368       52.7430   51.5383
 2    159.8677  159.2710       52.1610   51.5813       52.5377   51.5383
 3    159.7457  159.2710       46.1368   45.4368       85.4001   84.0998
 4     -6.1373   -6.1445     -116.3457 -117.8874      -53.0816  -52.9684
 5     33.0344   32.5614      -70.6189  -71.0514      118.4311  117.8874
 6    123.5105  124.0198      -33.5614  -32.5614        6.8293    6.1445
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      3.9150                 1.7545                 1.4561
  Dep-P Fr= 1--      0.7500                 0.7387                 0.7419
  Dep-U Fr= 1--      0.8571                 0.8497                 0.8518
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0002
 Beta2  Fr= 1--      0.5593                 0.2485                 0.2067
 AlphaG Fr= 1--     -0.0001                -0.0044                 0.0064
 Gamma2 Fr= 1--     -2.6240                 2.2476                -1.7805
 Delta2 Fr= 1--     -1.8426                 1.5193                -0.6182
 Raman1 Fr= 1--      15.660                  7.018                  5.824
 ROA1   Fr= 1--    -310.865                264.391               -190.710
 CID1   Fr= 1--     -19.851                 37.674                -32.743
 Raman2 Fr= 1--       6.711                  2.982                  2.481
 ROA2   Fr= 1--     -48.234                 41.789                -37.786
 CID2   Fr= 1--      -7.187                 14.016                -15.232
 Raman3 Fr= 1--      13.423                  5.963                  4.961
 ROA3   Fr= 1--    -310.865                264.391               -190.710
 CID3   Fr= 1--     -23.160                 44.338                -38.439
 RC180  Fr= 1--       0.714                  0.699                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.8378                 0.2257                 0.3948
  Dep-P Fr= 1--      0.6998                 0.5102                 0.3843
  Dep-U Fr= 1--      0.8234                 0.6756                 0.5553
 Alpha2 Fr= 1--      0.0016                 0.0011                 0.0031
 Beta2  Fr= 1--      0.2522                 0.0254                 0.0365
 AlphaG Fr= 1--     -0.0044                -0.0082                -0.0155
 Gamma2 Fr= 1--      0.0439                 0.5581                -1.1895
 Delta2 Fr= 1--     -0.3134                 0.4362                -0.4874
 Raman1 Fr= 1--       7.351                  0.903                  1.579
 ROA1   Fr= 1--      -5.809                 67.534               -129.789
 CID1   Fr= 1--      -0.790                 74.802                -82.196
 Raman2 Fr= 1--       3.026                  0.305                  0.438
 ROA2   Fr= 1--       3.562                  9.904                -24.649
 CID2   Fr= 1--       1.177                 32.472                -56.226
 Raman3 Fr= 1--       6.053                  0.610                  0.877
 ROA3   Fr= 1--      -5.809                 67.534               -129.789
 CID3   Fr= 1--      -0.960                110.715               -148.029
 RC180  Fr= 1--       0.647                  0.351                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.3917                 6.2753                 1.2862
  Dep-P Fr= 1--      0.2291                 0.3275                 0.7386
  Dep-U Fr= 1--      0.3728                 0.4934                 0.8496
 Alpha2 Fr= 1--      0.0049                 0.0592                 0.0002
 Beta2  Fr= 1--      0.0243                 0.5160                 0.1821
 AlphaG Fr= 1--     -0.0093                 0.0296                -0.0047
 Gamma2 Fr= 1--      1.2452                -1.0157                 0.2658
 Delta2 Fr= 1--      0.0813                -0.5023                 0.3255
 Raman1 Fr= 1--       1.567                 25.101                  5.145
 ROA1   Fr= 1--     122.144               -113.578                 35.937
 CID1   Fr= 1--      77.959                 -4.525                  6.985
 Raman2 Fr= 1--       0.292                  6.192                  2.186
 ROA2   Fr= 1--      29.236                -20.358                  3.776
 CID2   Fr= 1--     100.115                 -3.288                  1.728
 Raman3 Fr= 1--       0.584                 12.385                  4.371
 ROA3   Fr= 1--     122.144               -113.578                 35.937
 CID3   Fr= 1--     209.135                 -9.171                  8.221
 RC180  Fr= 1--      -0.254                 -0.013                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      0.8282                 0.2684                 1.0723
  Dep-P Fr= 1--      0.5612                 0.7433                 0.6139
  Dep-U Fr= 1--      0.7189                 0.8528                 0.7607
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0027
 Beta2  Fr= 1--      0.0992                 0.0382                 0.1360
 AlphaG Fr= 1--     -0.0175                -0.0014                 0.0028
 Gamma2 Fr= 1--      0.9088                -0.0179                 1.0548
 Delta2 Fr= 1--     -0.1217                 0.0598                 0.3461
 Raman1 Fr= 1--       3.313                  1.074                  4.289
 ROA1   Fr= 1--      83.350                  0.194                112.333
 CID1   Fr= 1--      25.159                  0.181                 26.191
 Raman2 Fr= 1--       1.191                  0.458                  1.631
 ROA2   Fr= 1--      22.786                 -0.908                 22.546
 CID2   Fr= 1--      19.134                 -1.984                 13.820
 Raman3 Fr= 1--       2.382                  0.916                  3.263
 ROA3   Fr= 1--      83.350                  0.194                112.333
 CID3   Fr= 1--      34.996                  0.212                 34.428
 RC180  Fr= 1--       0.438                  0.706                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--      9.7490                 1.6690                 2.2986
  Dep-P Fr= 1--      0.2570                 0.0691                 0.1238
  Dep-U Fr= 1--      0.4089                 0.1293                 0.2203
 Alpha2 Fr= 1--      0.1133                 0.0315                 0.0380
 Beta2  Fr= 1--      0.6643                 0.0360                 0.0844
 AlphaG Fr= 1--     -0.0374                 0.0561                 0.0846
 Gamma2 Fr= 1--     -2.3122                 0.7796                 0.8101
 Delta2 Fr= 1--     -0.2713                 0.1311                 0.2859
 Raman1 Fr= 1--      38.996                  6.676                  9.194
 ROA1   Fr= 1--    -230.654                 79.037                 86.919
 CID1   Fr= 1--      -5.915                 11.839                  9.454
 Raman2 Fr= 1--       7.972                  0.432                  1.013
 ROA2   Fr= 1--     -53.322                 17.661                 17.155
 CID2   Fr= 1--      -6.689                 40.919                 16.943
 Raman3 Fr= 1--      15.944                  0.863                  2.025
 ROA3   Fr= 1--    -230.654                 79.037                 86.919
 CID3   Fr= 1--     -14.466                 91.560                 42.922
 RC180  Fr= 1--      -0.182                 -0.741                 -0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      3.0727                 2.4316                 0.1142
  Dep-P Fr= 1--      0.7492                 0.1196                 0.4887
  Dep-U Fr= 1--      0.8566                 0.2137                 0.6565
 Alpha2 Fr= 1--      0.0000                 0.0406                 0.0006
 Beta2  Fr= 1--      0.4387                 0.0866                 0.0125
 AlphaG Fr= 1--      0.0023                 0.0712                 0.0037
 Gamma2 Fr= 1--     -0.8747                 0.1088                -0.0699
 Delta2 Fr= 1--      0.1178                -0.2670                -0.0498
 Raman1 Fr= 1--      12.291                  9.726                  0.457
 ROA1   Fr= 1--     -80.204                  1.900                 -8.301
 CID1   Fr= 1--      -6.526                  0.195                -18.165
 Raman2 Fr= 1--       5.264                  1.039                  0.150
 ROA2   Fr= 1--     -21.936                  4.747                 -1.278
 CID2   Fr= 1--      -4.167                  4.567                 -8.522
 Raman3 Fr= 1--      10.529                  2.079                  0.300
 ROA3   Fr= 1--     -80.204                  1.900                 -8.301
 CID3   Fr= 1--      -7.618                  0.914                -27.667
 RC180  Fr= 1--       0.713                 -0.573                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.3384                 5.9891                11.3367
  Dep-P Fr= 1--      0.5512                 0.1927                 0.4301
  Dep-U Fr= 1--      0.7107                 0.3231                 0.6015
 Alpha2 Fr= 1--      0.0051                 0.0829                 0.0751
 Beta2  Fr= 1--      0.1585                 0.3225                 1.1366
 AlphaG Fr= 1--     -0.0125                -0.0431                 0.0790
 Gamma2 Fr= 1--     -0.5956                -0.0170                -0.3901
 Delta2 Fr= 1--     -0.0208                 0.6269                -0.2854
 Raman1 Fr= 1--       5.354                 23.957                 45.347
 ROA1   Fr= 1--     -57.845                 18.432                -46.582
 CID1   Fr= 1--     -10.805                  0.769                 -1.027
 Raman2 Fr= 1--       1.902                  3.870                 13.639
 ROA2   Fr= 1--     -14.128                 -5.422                 -7.078
 CID2   Fr= 1--      -7.427                 -1.401                 -0.519
 Raman3 Fr= 1--       3.805                  7.740                 27.278
 ROA3   Fr= 1--     -57.845                 18.432                -46.582
 CID3   Fr= 1--     -15.204                  2.381                 -1.708
 RC180  Fr= 1--       0.421                 -0.354                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      1.7472                 0.8118                 1.4105
  Dep-P Fr= 1--      0.4389                 0.7336                 0.6960
  Dep-U Fr= 1--      0.6101                 0.8463                 0.8207
 Alpha2 Fr= 1--      0.0112                 0.0002                 0.0013
 Beta2  Fr= 1--      0.1776                 0.1145                 0.1929
 AlphaG Fr= 1--     -0.0504                -0.0305                -0.0027
 Gamma2 Fr= 1--      0.2721                -0.5308                 0.9923
 Delta2 Fr= 1--     -0.4392                 0.4854                 0.6804
 Raman1 Fr= 1--       6.989                  3.247                  5.642
 ROA1   Fr= 1--      12.067                -35.423                117.028
 CID1   Fr= 1--       1.727                -10.909                 20.742
 Raman2 Fr= 1--       2.132                  1.374                  2.315
 ROA2   Fr= 1--      10.044                -16.622                 18.371
 CID2   Fr= 1--       4.711                -12.097                  7.934
 Raman3 Fr= 1--       4.264                  2.748                  4.631
 ROA3   Fr= 1--      12.067                -35.423                117.028
 CID3   Fr= 1--       2.830                -12.890                 25.272
 RC180  Fr= 1--       0.220                  0.693                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.2238                 0.5503                 2.3871
  Dep-P Fr= 1--      0.6598                 0.2870                 0.1635
  Dep-U Fr= 1--      0.7950                 0.4460                 0.2810
 Alpha2 Fr= 1--      0.0004                 0.0059                 0.0357
 Beta2  Fr= 1--      0.0296                 0.0409                 0.1118
 AlphaG Fr= 1--     -0.0081                 0.0133                 0.0257
 Gamma2 Fr= 1--      0.5310                -0.4587                -1.3826
 Delta2 Fr= 1--      0.0961                -0.3439                -0.3279
 Raman1 Fr= 1--       0.895                  2.201                  9.548
 ROA1   Fr= 1--      54.056                -55.038               -143.225
 CID1   Fr= 1--      60.393                -25.005                -15.000
 Raman2 Fr= 1--       0.356                  0.491                  1.342
 ROA2   Fr= 1--      11.976                 -8.256                -30.561
 CID2   Fr= 1--      33.661                -16.821                -22.779
 Raman3 Fr= 1--       0.712                  0.982                  2.683
 ROA3   Fr= 1--      54.056                -55.038               -143.225
 CID3   Fr= 1--      75.965                -56.065                -53.378
 RC180  Fr= 1--       0.590                 -0.108                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.0103                63.2958                 3.3575
  Dep-P Fr= 1--      0.6448                 0.0653                 0.0648
  Dep-U Fr= 1--      0.7841                 0.1227                 0.1217
 Alpha2 Fr= 1--      0.0019                 1.2053                 0.0640
 Beta2  Fr= 1--      0.1320                 1.2941                 0.0681
 AlphaG Fr= 1--     -0.0462                 0.0851                -0.1084
 Gamma2 Fr= 1--      2.0277                 1.3046                -0.2732
 Delta2 Fr= 1--     -0.3019                 0.3315                 0.1464
 Raman1 Fr= 1--       4.041                253.183                 13.430
 ROA1   Fr= 1--     185.001                135.845                -21.537
 CID1   Fr= 1--      45.779                  0.537                 -1.604
 Raman2 Fr= 1--       1.584                 15.529                  0.817
 ROA2   Fr= 1--      51.081                 28.658                 -7.727
 CID2   Fr= 1--      32.243                  1.845                 -9.453
 Raman3 Fr= 1--       3.169                 31.057                  1.635
 ROA3   Fr= 1--     185.001                135.845                -21.537
 CID3   Fr= 1--      58.387                  4.374                -13.173
 RC180  Fr= 1--       0.568                 -0.755                 -0.757
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      4.2158                 0.6558                 0.9350
  Dep-P Fr= 1--      0.5359                 0.6011                 0.6173
  Dep-U Fr= 1--      0.6978                 0.7508                 0.7634
 Alpha2 Fr= 1--      0.0174                 0.0018                 0.0023
 Beta2  Fr= 1--      0.4903                 0.0821                 0.1190
 AlphaG Fr= 1--     -0.0776                 0.0062                 0.0354
 Gamma2 Fr= 1--     -1.0578                 0.9345                 0.8317
 Delta2 Fr= 1--     -0.8971                 0.0785                 0.3858
 Raman1 Fr= 1--      16.863                  2.623                  3.740
 ROA1   Fr= 1--    -130.257                 92.223                 92.193
 CID1   Fr= 1--      -7.724                 35.156                 24.650
 Raman2 Fr= 1--       5.884                  0.985                  1.428
 ROA2   Fr= 1--     -18.210                 21.800                 16.875
 CID2   Fr= 1--      -3.095                 22.136                 11.821
 Raman3 Fr= 1--      11.768                  1.970                  2.855
 ROA3   Fr= 1--    -130.257                 92.223                 92.193
 CID3   Fr= 1--     -11.069                 46.821                 32.290
 RC180  Fr= 1--       0.396                  0.502                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     23.7500                 1.6731                 1.0180
  Dep-P Fr= 1--      0.1125                 0.7171                 0.7362
  Dep-U Fr= 1--      0.2022                 0.8353                 0.8480
 Alpha2 Fr= 1--      0.4033                 0.0009                 0.0002
 Beta2  Fr= 1--      0.8003                 0.2329                 0.1439
 AlphaG Fr= 1--      0.0928                 0.0330                -0.0085
 Gamma2 Fr= 1--     -0.9467                -0.8636                -0.3396
 Delta2 Fr= 1--     -0.6025                -0.2555                -0.0455
 Raman1 Fr= 1--      95.000                  6.692                  4.072
 ROA1   Fr= 1--    -110.164                -91.079                -34.056
 CID1   Fr= 1--      -1.160                -13.609                 -8.364
 Raman2 Fr= 1--       9.604                  2.795                  1.727
 ROA2   Fr= 1--     -17.901                -18.682                 -7.787
 CID2   Fr= 1--      -1.864                 -6.684                 -4.510
 Raman3 Fr= 1--      19.208                  5.590                  3.453
 ROA3   Fr= 1--    -110.164                -91.079                -34.056
 CID3   Fr= 1--      -5.735                -16.293                 -9.862
 RC180  Fr= 1--      -0.596                  0.671                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.7763                 1.9379                 1.0890
  Dep-P Fr= 1--      0.7249                 0.7485                 0.5581
  Dep-U Fr= 1--      0.8405                 0.8562                 0.7164
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0040
 Beta2  Fr= 1--      0.1087                 0.2765                 0.1300
 AlphaG Fr= 1--      0.0065                -0.0057                 0.0889
 Gamma2 Fr= 1--      0.4837                 0.0562                 0.8677
 Delta2 Fr= 1--     -0.9045                 0.1575                 0.3042
 Raman1 Fr= 1--       3.105                  7.751                  4.356
 ROA1   Fr= 1--      17.488                 10.438                 93.031
 CID1   Fr= 1--       5.632                  1.347                 21.357
 Raman2 Fr= 1--       1.305                  3.318                  1.560
 ROA2   Fr= 1--      18.843                  0.090                 18.390
 CID2   Fr= 1--      14.440                  0.027                 11.786
 Raman3 Fr= 1--       2.610                  6.636                  3.121
 ROA3   Fr= 1--      17.488                 10.438                 93.031
 CID3   Fr= 1--       6.701                  1.573                 29.812
 RC180  Fr= 1--       0.681                  0.712                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     17.3605                 2.7031                 2.3601
  Dep-P Fr= 1--      0.1268                 0.4287                 0.4215
  Dep-U Fr= 1--      0.2251                 0.6001                 0.5930
 Alpha2 Fr= 1--      0.2845                 0.0180                 0.0162
 Beta2  Fr= 1--      0.6513                 0.2703                 0.2333
 AlphaG Fr= 1--     -0.1563                 0.0401                 0.0020
 Gamma2 Fr= 1--     -0.5693                -0.0994                 0.3986
 Delta2 Fr= 1--      0.0442                -2.0698                 0.1721
 Raman1 Fr= 1--      69.442                 10.812                  9.440
 ROA1   Fr= 1--     -53.245                -75.775                 43.768
 CID1   Fr= 1--      -0.767                 -7.008                  4.636
 Raman2 Fr= 1--       7.815                  3.244                  2.799
 ROA2   Fr= 1--     -14.018                 14.173                  8.189
 CID2   Fr= 1--      -1.794                  4.369                  2.926
 Raman3 Fr= 1--      15.631                  6.488                  5.598
 ROA3   Fr= 1--     -53.245                -75.775                 43.768
 CID3   Fr= 1--      -3.406                -11.679                  7.818
 RC180  Fr= 1--      -0.550                  0.200                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--      7.8307                 5.4955                 0.5114
  Dep-P Fr= 1--      0.6245                 0.1660                 0.7471
  Dep-U Fr= 1--      0.7689                 0.2848                 0.8552
 Alpha2 Fr= 1--      0.0179                 0.0816                 0.0000
 Beta2  Fr= 1--      1.0035                 0.2608                 0.0729
 AlphaG Fr= 1--      0.0278                -0.1063                -0.0002
 Gamma2 Fr= 1--     -1.4708                 0.8419                -0.3957
 Delta2 Fr= 1--      0.2338                 0.3271                -1.3008
 Raman1 Fr= 1--      31.323                 21.982                  2.046
 ROA1   Fr= 1--    -133.712                 91.286                -79.615
 CID1   Fr= 1--      -4.269                  4.153                -38.919
 Raman2 Fr= 1--      12.041                  3.130                  0.875
 ROA2   Fr= 1--     -37.168                 17.588                  0.909
 CID2   Fr= 1--      -3.087                  5.620                  1.039
 Raman3 Fr= 1--      24.083                  6.259                  1.750
 ROA3   Fr= 1--    -133.712                 91.286                -79.615
 CID3   Fr= 1--      -5.552                 14.584                -45.507
 RC180  Fr= 1--       0.538                 -0.430                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.8458                 1.9958                16.4228
  Dep-P Fr= 1--      0.7492                 0.6589                 0.4650
  Dep-U Fr= 1--      0.8566                 0.7944                 0.6348
 Alpha2 Fr= 1--      0.0000                 0.0032                 0.0947
 Beta2  Fr= 1--      0.1208                 0.2642                 1.7376
 AlphaG Fr= 1--      0.0039                -0.0059                -0.0378
 Gamma2 Fr= 1--      0.0728                -0.4843                -7.9902
 Delta2 Fr= 1--      0.0055                -0.9581                 0.8195
 Raman1 Fr= 1--       3.383                  7.983                 65.691
 ROA1   Fr= 1--       7.164                -77.154               -740.838
 CID1   Fr= 1--       2.117                 -9.664                -11.278
 Raman2 Fr= 1--       1.449                  3.171                 20.851
 ROA2   Fr= 1--       1.703                 -3.959               -198.321
 CID2   Fr= 1--       1.175                 -1.249                 -9.511
 Raman3 Fr= 1--       2.898                  6.342                 41.703
 ROA3   Fr= 1--       7.164                -77.154               -740.838
 CID3   Fr= 1--       2.472                -12.166                -17.765
 RC180  Fr= 1--       0.713                  0.589                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     48.0127                11.2834                 2.9773
  Dep-P Fr= 1--      0.1658                 0.6790                 0.3045
  Dep-U Fr= 1--      0.2845                 0.8088                 0.4669
 Alpha2 Fr= 1--      0.7129                 0.0141                 0.0301
 Beta2  Fr= 1--      2.2763                 1.5211                 0.2317
 AlphaG Fr= 1--     -0.0598                -0.0218                -0.0365
 Gamma2 Fr= 1--     11.6709                 6.0445                 0.1221
 Delta2 Fr= 1--      1.8369                -0.4033                 0.1181
 Raman1 Fr= 1--     192.051                 45.134                 11.909
 ROA1   Fr= 1--    1179.185                567.366                 15.505
 CID1   Fr= 1--       6.140                 12.571                  1.302
 Raman2 Fr= 1--      27.316                 18.253                  2.780
 ROA2   Fr= 1--     265.407                148.294                  1.986
 CID2   Fr= 1--       9.716                  8.124                  0.714
 Raman3 Fr= 1--      54.631                 36.506                  5.560
 ROA3   Fr= 1--    1179.185                567.366                 15.505
 CID3   Fr= 1--      21.585                 15.542                  2.788
 RC180  Fr= 1--      -0.431                  0.618                 -0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      5.0298                 7.2807                 9.8610
  Dep-P Fr= 1--      0.2898                 0.2919                 0.4168
  Dep-U Fr= 1--      0.4494                 0.4519                 0.5884
 Alpha2 Fr= 1--      0.0532                 0.0765                 0.0687
 Beta2  Fr= 1--      0.3767                 0.5484                 0.9671
 AlphaG Fr= 1--      0.0657                 0.0505                -0.0386
 Gamma2 Fr= 1--      0.0949                 2.8761                -8.7681
 Delta2 Fr= 1--     -0.4585                 0.3584                -1.0927
 Raman1 Fr= 1--      20.119                 29.123                 39.444
 ROA1   Fr= 1--      -5.562                287.576               -876.706
 CID1   Fr= 1--      -0.276                  9.875                -22.227
 Raman2 Fr= 1--       4.521                  6.580                 11.605
 ROA2   Fr= 1--       5.945                 66.159               -201.693
 CID2   Fr= 1--       1.315                 10.054                -17.380
 Raman3 Fr= 1--       9.042                 13.161                 23.209
 ROA3   Fr= 1--      -5.562                287.576               -876.706
 CID3   Fr= 1--      -0.615                 21.851                -37.774
 RC180  Fr= 1--      -0.101                 -0.096                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     13.3710                 1.2972                13.4631
  Dep-P Fr= 1--      0.3683                 0.1598                 0.2294
  Dep-U Fr= 1--      0.5383                 0.2755                 0.3732
 Alpha2 Fr= 1--      0.1105                 0.0196                 0.1689
 Beta2  Fr= 1--      1.1996                 0.0596                 0.8373
 AlphaG Fr= 1--      0.0838                 0.0261                 0.1362
 Gamma2 Fr= 1--      6.0507                -0.2914                 0.3514
 Delta2 Fr= 1--     -1.4735                 0.0836                -1.6121
 Raman1 Fr= 1--      53.484                  5.189                 53.853
 ROA1   Fr= 1--     533.711                -25.298                -17.851
 CID1   Fr= 1--       9.979                 -4.875                 -0.331
 Raman2 Fr= 1--      14.395                  0.715                 10.048
 ROA2   Fr= 1--     157.004                 -7.662                 21.330
 CID2   Fr= 1--      10.907                -10.720                  2.123
 Raman3 Fr= 1--      28.790                  1.429                 20.095
 ROA3   Fr= 1--     533.711                -25.298                -17.851
 CID3   Fr= 1--      18.538                -17.697                 -0.888
 RC180  Fr= 1--       0.077                 -0.449                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     14.1552               634.9911                15.5003
  Dep-P Fr= 1--      0.2168                 0.2207                 0.2001
  Dep-U Fr= 1--      0.3563                 0.3615                 0.3335
 Alpha2 Fr= 1--      0.1838                 8.1589                 0.2104
 Beta2  Fr= 1--      0.8407                38.2628                 0.8614
 AlphaG Fr= 1--     -0.2302                 2.6771                 0.1521
 Gamma2 Fr= 1--      1.1567                 6.8010                -1.2341
 Delta2 Fr= 1--      1.9441                -3.4040                -1.3674
 Raman1 Fr= 1--      56.621               2539.964                 62.001
 ROA1   Fr= 1--     173.249                543.972               -162.227
 CID1   Fr= 1--       3.060                  0.214                 -2.617
 Raman2 Fr= 1--      10.088                459.154                 10.337
 ROA2   Fr= 1--      12.207                190.457                -18.678
 CID2   Fr= 1--       1.210                  0.415                 -1.807
 Raman3 Fr= 1--      20.176                918.307                 20.675
 ROA3   Fr= 1--     173.249                543.972               -162.227
 CID3   Fr= 1--       8.587                  0.592                 -7.847
 RC180  Fr= 1--      -0.287                 -0.277                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     81.5256               172.7838                12.2286
  Dep-P Fr= 1--      0.1997                 0.2408                 0.5690
  Dep-U Fr= 1--      0.3329                 0.3882                 0.7253
 Alpha2 Fr= 1--      1.1080                 2.1007                 0.0418
 Beta2  Fr= 1--      4.5233                11.1787                 1.4783
 AlphaG Fr= 1--     -0.2071                -0.6191                 0.0226
 Gamma2 Fr= 1--      1.1464                 1.2138                 1.7904
 Delta2 Fr= 1--      7.7810                -0.5610                 0.0183
 Raman1 Fr= 1--     326.102                691.135                 48.914
 ROA1   Fr= 1--     359.049                 98.574                172.461
 CID1   Fr= 1--       1.101                  0.143                  3.526
 Raman2 Fr= 1--      54.280                134.144                 17.740
 ROA2   Fr= 1--     -34.733                 33.619                 42.822
 CID2   Fr= 1--      -0.640                  0.251                  2.414
 Raman3 Fr= 1--     108.560                268.288                 35.480
 ROA3   Fr= 1--     359.049                 98.574                172.461
 CID3   Fr= 1--       3.307                  0.367                  4.861
 RC180  Fr= 1--      -0.334                 -0.224                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      8.5992                 4.0747                 1.6695
  Dep-P Fr= 1--      0.7495                 0.7498                 0.7487
  Dep-U Fr= 1--      0.8568                 0.8570                 0.8563
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      1.2280                 0.5820                 0.2383
 AlphaG Fr= 1--     -0.0071                -0.0018                 0.0007
 Gamma2 Fr= 1--      0.2024                 0.4449                -0.4315
 Delta2 Fr= 1--     -0.1543                -1.1547                 0.0271
 Raman1 Fr= 1--      34.397                 16.299                  6.678
 ROA1   Fr= 1--      14.492                  5.758                -40.553
 CID1   Fr= 1--       0.421                  0.353                 -6.073
 Raman2 Fr= 1--      14.736                  6.984                  2.859
 ROA2   Fr= 1--       6.091                 19.914                -10.572
 CID2   Fr= 1--       0.413                  2.851                 -3.697
 Raman3 Fr= 1--      29.472                 13.968                  5.719
 ROA3   Fr= 1--      14.492                  5.758                -40.553
 CID3   Fr= 1--       0.492                  0.412                 -7.091
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--      8.7260               128.9323                 0.6035
  Dep-P Fr= 1--      0.4629                 0.2540                 0.7447
  Dep-U Fr= 1--      0.6328                 0.4051                 0.8537
 Alpha2 Fr= 1--      0.0507                 1.5110                 0.0001
 Beta2  Fr= 1--      0.9203                 8.7053                 0.0859
 AlphaG Fr= 1--      0.1322                 0.2331                 0.0042
 Gamma2 Fr= 1--      3.2322                 0.2922                 1.6659
 Delta2 Fr= 1--      2.7526                -1.7384                -0.2570
 Raman1 Fr= 1--      34.904                515.729                  2.414
 ROA1   Fr= 1--     398.372                -27.575                151.702
 CID1   Fr= 1--      11.413                 -0.053                 62.838
 Raman2 Fr= 1--      11.044                104.463                  1.030
 ROA2   Fr= 1--      55.552                 20.920                 42.038
 CID2   Fr= 1--       5.030                  0.200                 40.794
 Raman3 Fr= 1--      22.088                208.927                  2.061
 ROA3   Fr= 1--     398.372                -27.575                151.702
 CID3   Fr= 1--      18.036                 -0.132                 73.607
 RC180  Fr= 1--       0.266                 -0.190                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     45.8212                 7.3012               183.5950
  Dep-P Fr= 1--      0.2335                 0.4278                 0.4506
  Dep-U Fr= 1--      0.3786                 0.5993                 0.6213
 Alpha2 Fr= 1--      0.5685                 0.0488                 1.1227
 Beta2  Fr= 1--      2.8915                 0.7292                19.0103
 AlphaG Fr= 1--      0.6927                 0.0954                 0.4182
 Gamma2 Fr= 1--     -1.5040                -0.6376                -6.7840
 Delta2 Fr= 1--     -2.1143                -3.9215                 8.1524
 Raman1 Fr= 1--     183.285                 29.205                734.380
 ROA1   Fr= 1--    -212.040               -186.700               -390.385
 CID1   Fr= 1--      -1.157                 -6.393                 -0.532
 Raman2 Fr= 1--      34.698                  8.751                228.124
 ROA2   Fr= 1--     -19.181                 16.069               -228.034
 CID2   Fr= 1--      -0.553                  1.836                 -1.000
 Raman3 Fr= 1--      69.396                 17.502                456.248
 ROA3   Fr= 1--    -212.040               -186.700               -390.385
 CID3   Fr= 1--      -3.056                -10.667                 -0.856
 RC180  Fr= 1--      -0.243                  0.199                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     17.5470               199.3736               186.2239
  Dep-P Fr= 1--      0.2874                 0.0537                 0.0189
  Dep-U Fr= 1--      0.4464                 0.1019                 0.0370
 Alpha2 Fr= 1--      0.1868                 3.9041                 3.9596
 Beta2  Fr= 1--      1.3056                 3.3844                 1.1489
 AlphaG Fr= 1--      0.3932                -0.4503                 0.4505
 Gamma2 Fr= 1--      1.0670                -1.2636                 1.9381
 Delta2 Fr= 1--      0.6156                 1.0932                 0.3615
 Raman1 Fr= 1--      70.188                797.494                744.896
 ROA1   Fr= 1--     122.134                -86.321                197.622
 CID1   Fr= 1--       1.740                 -0.108                  0.265
 Raman2 Fr= 1--      15.667                 40.613                 13.787
 ROA2   Fr= 1--      20.684                -39.072                 43.622
 CID2   Fr= 1--       1.320                 -0.962                  3.164
 Raman3 Fr= 1--      31.335                 81.226                 27.573
 ROA3   Fr= 1--     122.134                -86.321                197.622
 CID3   Fr= 1--       3.898                 -1.063                  7.167
 RC180  Fr= 1--      -0.107                 -0.796                 -0.926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     72.9677                44.7527                45.5801
  Dep-P Fr= 1--      0.2983                 0.7499                 0.3666
  Dep-U Fr= 1--      0.4595                 0.8571                 0.5365
 Alpha2 Fr= 1--      0.7522                 0.0001                 0.3789
 Beta2  Fr= 1--      5.5887                 6.3928                 4.0757
 AlphaG Fr= 1--      1.6552                -0.0509                -1.1028
 Gamma2 Fr= 1--     -1.7024                -2.1577                 1.9927
 Delta2 Fr= 1--      0.5273                -1.9137                 1.0859
 Raman1 Fr= 1--     291.871                179.011                182.320
 ROA1   Fr= 1--    -146.558               -268.378                226.050
 CID1   Fr= 1--      -0.502                 -1.499                  1.240
 Raman2 Fr= 1--      67.064                 76.714                 48.908
 ROA2   Fr= 1--     -45.076                -36.475                 39.139
 CID2   Fr= 1--      -0.672                 -0.475                  0.800
 Raman3 Fr= 1--     134.129                153.427                 97.816
 ROA3   Fr= 1--    -146.558               -268.378                226.050
 CID3   Fr= 1--      -1.093                 -1.749                  2.311
 RC180  Fr= 1--      -0.081                  0.714                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    114.3839               166.4587                57.0667
  Dep-P Fr= 1--      0.5427                 0.4019                 0.6962
  Dep-U Fr= 1--      0.7036                 0.5734                 0.8209
 Alpha2 Fr= 1--      0.4554                 1.2246                 0.0536
 Beta2  Fr= 1--     13.4131                15.9073                 7.8079
 AlphaG Fr= 1--      0.3609                 0.1472                -0.0060
 Gamma2 Fr= 1--     -3.5802                 0.6997                -0.0294
 Delta2 Fr= 1--      3.0541                 0.7139                 2.0419
 Raman1 Fr= 1--     457.536                665.835                228.267
 ROA1   Fr= 1--    -245.968                 90.018                 62.519
 CID1   Fr= 1--      -0.538                  0.135                  0.274
 Raman2 Fr= 1--     160.957                190.887                 93.694
 ROA2   Fr= 1--    -110.357                 11.082                -17.041
 CID2   Fr= 1--      -0.686                  0.058                 -0.182
 Raman3 Fr= 1--     321.914                381.774                187.389
 ROA3   Fr= 1--    -245.968                 90.018                 62.519
 CID3   Fr= 1--      -0.764                  0.236                  0.334
 RC180  Fr= 1--       0.407                  0.147                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     34.2865                55.4652               181.6512
  Dep-P Fr= 1--      0.6231                 0.5374                 0.1545
  Dep-U Fr= 1--      0.7678                 0.6991                 0.2677
 Alpha2 Fr= 1--      0.0795                 0.2273                 2.7761
 Beta2  Fr= 1--      4.3873                 6.4627                 8.1039
 AlphaG Fr= 1--      0.0277                 0.0723                 0.0344
 Gamma2 Fr= 1--     -0.4802                 3.3781                -2.4413
 Delta2 Fr= 1--     -1.0735                 2.8614                -3.6175
 Raman1 Fr= 1--     137.146                221.861                726.605
 ROA1   Fr= 1--     -80.449                415.860               -350.127
 CID1   Fr= 1--      -0.587                  1.874                 -0.482
 Raman2 Fr= 1--      52.647                 77.552                 97.247
 ROA2   Fr= 1--      -2.935                 58.183                -29.651
 CID2   Fr= 1--      -0.056                  0.750                 -0.305
 Raman3 Fr= 1--     105.294                155.104                194.494
 ROA3   Fr= 1--     -80.449                415.860               -350.127
 CID3   Fr= 1--      -0.764                  2.681                 -1.800
 RC180  Fr= 1--       0.536                  0.398                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    192.5537                78.2403               171.0526
  Dep-P Fr= 1--      0.2129                 0.2660                 0.2612
  Dep-U Fr= 1--      0.3511                 0.4202                 0.4142
 Alpha2 Fr= 1--      2.5265                 0.8863                 1.9641
 Beta2  Fr= 1--     11.2662                 5.4795                11.8097
 AlphaG Fr= 1--      0.2811                -0.1133                 3.4490
 Gamma2 Fr= 1--      2.1395                -1.1942                37.2490
 Delta2 Fr= 1--      1.0321                 0.1475                 3.3739
 Raman1 Fr= 1--     770.215                312.961                684.210
 ROA1   Fr= 1--     238.418               -109.923               3683.866
 CID1   Fr= 1--       0.310                 -0.351                  5.384
 Raman2 Fr= 1--     135.194                 65.754                141.717
 ROA2   Fr= 1--      43.090                -29.841                866.985
 CID2   Fr= 1--       0.319                 -0.454                  6.118
 Raman3 Fr= 1--     270.388                131.507                283.433
 ROA3   Fr= 1--     238.418               -109.923               3683.866
 CID3   Fr= 1--       0.882                 -0.836                 12.997
 RC180  Fr= 1--      -0.298                 -0.160                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293673D+03  0.845720D+01  0.154035D+02
      2   0.845720D+01  0.172098D+03  0.862329D+01
      3   0.154035D+02  0.862329D+01  0.117832D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.146323D+01 -0.291644D+02 -0.151854D+01
      2   0.636723D+02  0.196478D+02 -0.153898D+02
      3   0.403299D+02 -0.558998D+02 -0.168118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.268452D+03 -0.529425D+02  0.664722D+02
      2  -0.113534D+03  0.543037D+02 -0.176275D+02
      3  -0.154918D+03 -0.136118D+01 -0.488447D+02
      4  -0.471438D+02  0.119904D+03  0.489631D+02
      5  -0.439112D+00  0.519769D+02 -0.393669D+02
      6   0.194650D+02 -0.519775D+02 -0.170699D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348021D+02 -0.370955D+01 -0.315797D+01  0.420025D+02  0.912177D+01
      2  -0.370955D+01 -0.114530D+01 -0.991164D+00  0.912177D+01  0.905785D+01
      3  -0.315797D+01 -0.991164D+00 -0.765626D-01  0.591601D+01  0.235817D+01
                 6             7             8             9            10 
      1   0.591601D+01  0.404647D+01  0.125799D+01 -0.308146D+00  0.386057D+02
      2   0.235817D+01  0.125799D+01  0.107192D+01  0.142335D+01  0.452975D+01
      3   0.729101D+00 -0.308146D+00  0.142335D+01  0.484882D+00  0.365356D+01
                11            12            13            14            15 
      1   0.452975D+01  0.365356D+01 -0.421493D+02 -0.852377D+01 -0.600021D+01
      2   0.435821D+01  0.100023D+01 -0.852377D+01 -0.768533D+01 -0.246155D+01
      3   0.100023D+01  0.220334D+00 -0.600021D+01 -0.246155D+01 -0.774444D+00
                16            17            18            19            20 
      1  -0.276457D+01 -0.104131D+01  0.725686D+00  0.376583D+02  0.559477D+01
      2  -0.104131D+01 -0.465627D+00 -0.121008D+01  0.559477D+01  0.438096D+01
      3   0.725686D+00 -0.121008D+01 -0.380104D+00  0.323884D+01  0.985444D+00
                21            22            23            24            25 
      1   0.323884D+01  0.205687D+02  0.206405D+01  0.625774D+00  0.888050D+01
      2   0.985444D+00  0.206405D+01  0.464622D+01  0.245486D+00  0.980852D-01
      3   0.447410D+00  0.625774D+00  0.245486D+00  0.207230D+01 -0.821826D+00
                26            27            28            29            30 
      1   0.980852D-01 -0.821826D+00 -0.455283D+02 -0.482498D+01 -0.101133D+01
      2   0.412788D-01  0.361219D+01 -0.482498D+01 -0.284976D+01 -0.340284D+00
      3   0.361219D+01  0.107120D+01 -0.101133D+01 -0.340284D+00 -0.196228D+01
                31            32            33            34            35 
      1  -0.109607D+02 -0.288001D+00  0.581260D+00 -0.563836D+01  0.599766D+00
      2  -0.288001D+00 -0.890967D+01 -0.221652D+01  0.599766D+00 -0.225723D+01
      3   0.581260D+00 -0.221652D+01 -0.687521D+00 -0.586422D+01 -0.133713D+01
                36            37            38            39            40 
      1  -0.586422D+01 -0.722529D+01  0.328626D+00 -0.395033D+00 -0.759299D+01
      2  -0.133713D+01  0.328626D+00 -0.909769D+01 -0.152296D+01 -0.240183D+01
      3  -0.180773D+01 -0.395033D+00 -0.152296D+01 -0.185562D+01  0.482602D+00
                41            42            43            44            45 
      1  -0.240183D+01  0.482602D+00 -0.154601D+01  0.997440D+00 -0.426116D+01
      2   0.323932D+01  0.136039D+01  0.997440D+00  0.192482D+00 -0.246909D+01
      3   0.136039D+01 -0.521958D+00 -0.426116D+01 -0.246909D+01 -0.290419D+01
                46            47            48            49            50 
      1   0.116916D+02  0.141557D+01  0.179018D+01 -0.489242D-01 -0.924048D+00
      2   0.141557D+01  0.626647D+01  0.224386D+01 -0.924048D+00 -0.424685D+00
      3   0.179018D+01  0.224386D+01  0.219446D+01 -0.192416D+00  0.879786D+00
                51            52            53            54            55 
      1  -0.192416D+00  0.124551D+01  0.350435D+00  0.180217D+01 -0.132381D+02
      2   0.879786D+00  0.350435D+00  0.225842D+01 -0.343136D+01 -0.328655D+01
      3  -0.991181D+00  0.180217D+01 -0.343136D+01 -0.118074D+01 -0.194750D+01
                56            57            58            59            60 
      1  -0.328655D+01 -0.194750D+01 -0.189751D+01  0.546824D+00 -0.181209D+00
      2  -0.933326D+01 -0.194908D+01  0.546824D+00 -0.278763D+00 -0.841228D+00
      3  -0.194908D+01 -0.199885D+01 -0.181209D+00 -0.841228D+00  0.109355D+01
                61            62            63            64            65 
      1  -0.169109D+01 -0.504018D+00 -0.182645D+01 -0.253876D+01  0.238038D+01
      2  -0.504018D+00 -0.267247D+01  0.334618D+01  0.238038D+01 -0.134823D+01
      3  -0.182645D+01  0.334618D+01  0.768285D+00 -0.342549D+00  0.221427D+00
                66            67            68            69            70 
      1  -0.342549D+00  0.317146D+01 -0.299600D+01 -0.605189D-01 -0.449971D+00
      2   0.221427D+00 -0.299600D+01  0.596193D+01  0.276061D+00 -0.549395D-01
      3  -0.225607D+00 -0.605189D-01  0.276061D+00  0.733987D+00 -0.235827D-01
                71            72            73            74            75 
      1  -0.549395D-01 -0.235827D-01 -0.495024D+01 -0.295418D+01 -0.113330D+01
      2   0.807610D+00  0.113520D+00 -0.295418D+01 -0.301579D+01 -0.884745D+00
      3   0.113520D+00  0.884237D-03 -0.113330D+01 -0.884745D+00 -0.740368D+00
                76            77            78            79            80 
      1  -0.344712D+01 -0.410075D+01 -0.122701D+01 -0.147836D+01 -0.120337D+01
      2  -0.410075D+01 -0.602519D+01 -0.154713D+01 -0.120337D+01 -0.135207D+01
      3  -0.122701D+01 -0.154713D+01 -0.119673D+01  0.888577D-01 -0.604427D+00
                81            82            83            84            85 
      1   0.888577D-01  0.141509D+01 -0.176947D+01 -0.207156D+00 -0.948482D+00
      2  -0.604427D+00 -0.176947D+01  0.271402D+01  0.304702D+00  0.202167D+01
      3  -0.292364D+00 -0.207156D+00  0.304702D+00  0.310113D+00  0.426105D+00
                86            87            88            89            90 
      1   0.202167D+01  0.426105D+00 -0.531577D-01  0.150033D+00 -0.673139D-01
      2  -0.932557D+01 -0.142500D+01  0.150033D+00 -0.143689D+01 -0.400534D+00
      3  -0.142500D+01 -0.110211D+01 -0.673139D-01 -0.400534D+00 -0.240284D+00
                91            92            93            94            95 
      1   0.198180D+02  0.324975D+01 -0.168270D+01  0.290865D+01  0.264415D+01
      2   0.324975D+01  0.168904D+01 -0.721051D+00  0.264415D+01 -0.117403D+01
      3  -0.168270D+01 -0.721051D+00  0.279853D+01 -0.286139D+00  0.297527D+01
                96            97            98            99           100 
      1  -0.286139D+00 -0.692012D+01 -0.129194D+01  0.557984D+01  0.722628D+01
      2   0.297527D+01 -0.129194D+01  0.176794D+01  0.215518D+01 -0.561480D+00
      3   0.118538D+01  0.557984D+01  0.215518D+01 -0.162779D+00  0.179191D+01
               101           102           103           104           105 
      1  -0.561480D+00  0.179191D+01  0.258099D+01 -0.238866D+01  0.104268D+01
      2  -0.214913D+01  0.129185D+01 -0.238866D+01  0.139100D+01 -0.291153D+01
      3   0.129185D+01 -0.317395D+01  0.104268D+01 -0.291153D+01 -0.170500D+01
               106           107           108           109           110 
      1   0.201777D+01  0.111076D+01 -0.202473D+01  0.388133D+01  0.187846D+01
      2   0.111076D+01 -0.191040D+01 -0.296511D+01  0.187846D+01  0.839039D+00
      3  -0.202473D+01 -0.296511D+01  0.269894D+01  0.635869D-01 -0.377340D+00
               111           112           113           114           115 
      1   0.635869D-01  0.133223D+01 -0.551143D+00  0.293408D+00  0.117794D+02
      2  -0.377340D+00 -0.551143D+00  0.218642D+00 -0.147064D+00  0.128736D+01
      3  -0.753798D+00  0.293408D+00 -0.147064D+00 -0.548354D+00 -0.498517D+01
               116           117           118           119           120 
      1   0.128736D+01 -0.498517D+01 -0.282541D+01 -0.158675D+01 -0.140315D+01
      2   0.508942D+00 -0.605806D+00 -0.158675D+01 -0.979222D+00 -0.400398D+00
      3  -0.605806D+00 -0.113579D-01 -0.140315D+01 -0.400398D+00 -0.151301D+01
               121           122           123           124           125 
      1  -0.525630D+01 -0.181565D+01 -0.101746D+01 -0.232169D+01 -0.496574D+00
      2  -0.181565D+01 -0.252292D+01 -0.198670D+01 -0.496574D+00 -0.194853D+01
      3  -0.101746D+01 -0.198670D+01 -0.197104D+01 -0.233779D+01 -0.177039D+01
               126           127           128           129           130 
      1  -0.233779D+01  0.815711D+00  0.231869D+00 -0.108745D+01 -0.259959D+00
      2  -0.177039D+01  0.231869D+00  0.119315D+01 -0.107138D+01  0.261697D+00
      3  -0.364153D+01 -0.108745D+01 -0.107138D+01  0.237473D+01 -0.148467D+00
               131           132           133           134           135 
      1   0.261697D+00 -0.148467D+00 -0.178312D+01  0.290172D+00  0.240151D+00
      2   0.137428D+01 -0.119011D+01  0.290172D+00 -0.203811D+01  0.273044D+01
      3  -0.119011D+01  0.171343D+01  0.240151D+00  0.273044D+01 -0.676709D+01
               136           137           138           139           140 
      1   0.273837D+00  0.307110D+00  0.564967D+00  0.129127D+01 -0.558512D+00
      2   0.307110D+00  0.677020D+00 -0.109382D+00 -0.558512D+00  0.408316D+01
      3   0.564967D+00 -0.109382D+00  0.642681D+00 -0.101478D+00  0.153336D+01
               141           142           143           144           145 
      1  -0.101478D+00  0.168561D+01 -0.919656D+00  0.201062D+00 -0.124991D+02
      2   0.153336D+01 -0.919656D+00  0.288963D+01  0.158284D+01  0.242749D+01
      3   0.172538D+01  0.201062D+00  0.158284D+01  0.200294D+01 -0.221855D+01
               146           147           148           149           150 
      1   0.242749D+01 -0.221855D+01  0.751383D+00 -0.962403D+00 -0.396935D-01
      2  -0.155997D+01  0.584575D+00 -0.962403D+00  0.124435D+00  0.559880D-01
      3   0.584575D+00 -0.151058D+01 -0.396935D-01  0.559880D-01  0.317811D-01
               151           152           153           154           155 
      1  -0.143984D+01  0.145203D+00 -0.129494D+01 -0.183446D+02 -0.365999D+01
      2   0.145203D+00  0.498922D-01  0.508356D+00 -0.365999D+01 -0.273688D+01
      3  -0.129494D+01  0.508356D+00 -0.940978D+00  0.109491D+01  0.762077D+00
               156           157           158           159           160 
      1   0.109491D+01 -0.460395D+01 -0.454577D+01  0.213046D+00  0.187485D+01
      2   0.762077D+00 -0.454577D+01 -0.296047D+01  0.451517D+00  0.534918D+00
      3  -0.297918D+01  0.213046D+00  0.451517D+00 -0.637360D+00 -0.273225D+01
               161           162           163           164           165 
      1   0.534918D+00 -0.273225D+01 -0.122118D+02 -0.158780D+01  0.448106D+01
      2  -0.131496D+00 -0.862149D+00 -0.158780D+01  0.275549D+00  0.118722D-01
      3  -0.862149D+00  0.402731D+00  0.448106D+01  0.118722D-01 -0.101168D+01
               166           167           168           169           170 
      1  -0.351248D+01  0.227085D-01  0.747910D+00  0.506450D+00 -0.486119D+00
      2   0.227085D-01  0.237017D+00  0.125808D+01 -0.486119D+00  0.603403D+00
      3   0.747910D+00  0.125808D+01 -0.278147D+00 -0.178446D+00 -0.353306D+00
               171           172           173           174           175 
      1  -0.178446D+00  0.106302D+02  0.965002D+00 -0.254139D+01  0.285174D+01
      2  -0.353306D+00  0.965002D+00  0.181703D+00 -0.177768D+00  0.138151D-01
      3   0.660951D+01 -0.254139D+01 -0.177768D+00  0.291389D+01 -0.855659D+00
               176           177           178           179           180 
      1   0.138151D-01 -0.855659D+00 -0.513807D+01 -0.413138D+00  0.206235D+01
      2   0.107418D+00  0.550303D+00 -0.413138D+00  0.915723D+00  0.328720D+00
      3   0.550303D+00  0.894012D+00  0.206235D+01  0.328720D+00  0.231106D+00
               181           182           183           184           185 
      1   0.117320D+02  0.824200D+00  0.754252D+00  0.668879D+01  0.124182D+01
      2   0.824200D+00  0.104731D+02  0.880520D+00  0.124182D+01 -0.484458D+01
      3   0.754252D+00  0.880520D+00  0.165431D+01 -0.583029D-01 -0.118634D+01
               186           187           188           189           190 
      1  -0.583029D-01  0.137503D+01 -0.918541D+00  0.476799D+01  0.339607D+02
      2  -0.118634D+01 -0.918541D+00 -0.670025D+00  0.288750D+01  0.247459D+01
      3   0.706237D+00  0.476799D+01  0.288750D+01  0.248730D+01  0.278724D+01
               191           192           193           194           195 
      1   0.247459D+01  0.278724D+01  0.162188D+02  0.361118D+00  0.374529D+00
      2   0.540279D+01  0.646445D+00  0.361118D+00  0.130616D+02  0.153255D+01
      3   0.646445D+00  0.301151D+01  0.374529D+00  0.153255D+01  0.573562D+00
               196           197           198           199           200 
      1   0.535497D+01 -0.921479D+00  0.677643D+01 -0.363914D+02 -0.510305D+01
      2  -0.921479D+00  0.258714D+01  0.124547D+01 -0.510305D+01 -0.752103D+01
      3   0.677643D+01  0.124547D+01  0.214902D+01 -0.410172D+01 -0.100476D+01
               201           202           203           204           205 
      1  -0.410172D+01 -0.193515D+02 -0.459177D+00 -0.182274D+01 -0.792971D+01
      2  -0.100476D+01 -0.459177D+00 -0.577177D+01  0.107264D+00 -0.270806D+00
      3  -0.293016D+00 -0.182274D+01  0.107264D+00 -0.212104D+01 -0.611263D+00
               206           207           208           209           210 
      1  -0.270806D+00 -0.611263D+00 -0.576803D+01  0.942169D+00 -0.633144D+00
      2  -0.577201D+00 -0.377453D+01  0.942169D+00 -0.176429D+01 -0.359610D+00
      3  -0.377453D+01 -0.178137D+01 -0.633144D+00 -0.359610D+00 -0.140842D+00
               211           212           213           214           215 
      1   0.141725D+01  0.157841D+01  0.553046D+00 -0.475682D+00  0.247744D+00
      2   0.157841D+01  0.191300D+01  0.608989D+00  0.247744D+00 -0.334396D-01
      3   0.553046D+00  0.608989D+00 -0.715286D+00  0.483416D+00  0.480945D+00
               216           217           218           219           220 
      1   0.483416D+00 -0.161652D+01 -0.187432D+01 -0.648674D+00 -0.363004D+01
      2   0.480945D+00 -0.187432D+01  0.287461D+01 -0.463032D+00 -0.642015D-01
      3   0.133479D+00 -0.648674D+00 -0.463032D+00  0.138328D+01 -0.996837D+00
               221           222           223           224           225 
      1  -0.642015D-01 -0.996837D+00 -0.650469D+00 -0.561405D+00 -0.123209D+01
      2  -0.453827D+00 -0.169857D+01 -0.561405D+00 -0.109004D+01  0.338447D+01
      3  -0.169857D+01  0.484933D+01 -0.123209D+01  0.338447D+01  0.226121D+01
               226           227           228           229           230 
      1  -0.110682D+01  0.148650D+01  0.123624D+00  0.554139D+00 -0.143659D+01
      2   0.148650D+01 -0.282033D+01 -0.262032D+00 -0.143659D+01  0.938348D+01
      3   0.123624D+00 -0.262032D+00 -0.289283D+00 -0.309673D+00  0.118051D+01
               231           232           233           234           235 
      1  -0.309673D+00 -0.809956D-01 -0.158901D+00  0.183673D+00  0.575061D+01
      2   0.118051D+01 -0.158901D+00  0.129743D+01  0.384045D+00  0.393772D+01
      3   0.101238D+01  0.183673D+00  0.384045D+00  0.262657D+00  0.130101D+01
               236           237           238           239           240 
      1   0.393772D+01  0.130101D+01  0.461016D+01  0.492735D+01  0.132901D+01
      2   0.370882D+01  0.948378D+00  0.492735D+01  0.649245D+01  0.149151D+01
      3   0.948378D+00  0.886155D+00  0.132901D+01  0.149151D+01  0.123319D+01
               241           242           243           244           245 
      1   0.162728D+01  0.139239D+01  0.539871D-01  0.154561D+01 -0.225357D+01
      2   0.139239D+01  0.152699D+01  0.628108D+00 -0.225357D+01  0.143840D+01
      3   0.539871D-01  0.628108D+00  0.329133D+00 -0.254091D+00 -0.319576D-01
               246           247           248           249           250 
      1  -0.254091D+00 -0.358102D+01  0.316841D+01  0.259678D+00 -0.490696D+00
      2  -0.319576D-01  0.316841D+01 -0.591098D+01 -0.649112D+00  0.277836D+00
      3   0.118318D+00  0.259678D+00 -0.649112D+00 -0.699519D+00  0.839579D-01
               251           252           253           254           255 
      1   0.277836D+00  0.839579D-01  0.152106D+02 -0.447718D+00  0.138364D+01
      2  -0.943787D+00 -0.134720D-01 -0.447718D+00  0.970407D+00 -0.404442D-01
      3  -0.134720D-01 -0.559178D-01  0.138364D+01 -0.404442D-01  0.130263D+01
               256           257           258           259           260 
      1   0.199816D+01  0.106962D+01  0.166730D+00  0.190542D+01 -0.756572D-01
      2   0.106962D+01  0.416584D+00  0.265154D+00 -0.756572D-01  0.314611D+00
      3   0.166730D+00  0.265154D+00  0.287228D-01  0.164031D+01 -0.326481D+00
               261           262           263           264           265 
      1   0.164031D+01  0.463898D-01  0.234915D+00 -0.816325D+00 -0.504295D+00
      2  -0.326481D+00  0.234915D+00 -0.217855D+00  0.218371D+00  0.126528D+01
      3   0.384583D+00 -0.816325D+00  0.218371D+00 -0.521558D+00  0.104666D+01
               266           267           268           269           270 
      1   0.126528D+01  0.104666D+01 -0.409214D+01  0.193730D+01  0.252810D+01
      2  -0.164045D+01 -0.135985D+01  0.193730D+01 -0.184404D+01 -0.211032D+01
      3  -0.135985D+01 -0.200370D+01  0.252810D+01 -0.211032D+01 -0.560267D+01
               271           272           273           274           275 
      1  -0.121552D+01  0.410535D+00  0.553233D+00 -0.120175D+01  0.170779D+01
      2   0.410535D+00 -0.904540D+00  0.607634D+00  0.170779D+01 -0.378017D+01
      3   0.553233D+00  0.607634D+00 -0.121217D+01 -0.760639D+00  0.249032D+01
               276           277           278           279 
      1  -0.760639D+00  0.264481D+01 -0.135958D+01  0.135142D+01
      2   0.249032D+01 -0.135958D+01  0.253793D+01 -0.257713D+01
      3  -0.262894D+01  0.135142D+01 -0.257713D+01  0.349125D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389455D+01 -0.328869D+01  0.121455D+00 -0.748299D+01 -0.652961D+01
      2  -0.817590D+01 -0.415027D+01 -0.112383D+01  0.112358D+02  0.211971D+00
      3  -0.280063D+02  0.222460D+02  0.765348D+00  0.377124D+02  0.182621D+02
                 6             7             8             9            10 
      1  -0.183014D+01  0.309438D+01  0.650756D+01  0.127483D+01 -0.112870D+01
      2  -0.146217D+00 -0.173310D+02 -0.252902D+01 -0.240130D+01  0.199195D+02
      3   0.604224D+01  0.197315D+01  0.729679D+01  0.488812D-01 -0.251546D+01
                11            12            13            14            15 
      1  -0.574506D+01 -0.798849D+00 -0.431495D+01 -0.205862D+01 -0.464777D-01
      2  -0.113268D+01 -0.315918D+01 -0.179944D+02 -0.581101D+01 -0.310697D+01
      3   0.266860D+02  0.302774D+01  0.436637D+02  0.250396D+02  0.865266D+01
                16            17            18            19            20 
      1   0.316041D+01  0.739543D+01  0.196219D+01 -0.518199D+01  0.802029D+00
      2  -0.207065D+02 -0.293863D+01 -0.269214D+01  0.146752D+02  0.648724D+01
      3   0.523931D+01  0.857814D+01  0.213449D+01  0.306396D+02 -0.187890D+02
                21            22            23            24            25 
      1  -0.511415D+00 -0.660671D+00 -0.323555D+01 -0.244159D+01  0.707347D+01
      2   0.891643D+00  0.130875D+02  0.226860D+01 -0.939038D+00 -0.153125D+02
      3   0.510089D+00  0.936937D+01  0.176558D+01  0.225548D+00 -0.577937D+00
                26            27            28            29            30 
      1   0.230799D+01 -0.226657D+01 -0.231017D+00 -0.128972D+01 -0.358110D+00
      2  -0.692991D+01 -0.313449D+01 -0.255343D+02 -0.420488D+01  0.485090D+00
      3  -0.430060D+01  0.195649D+01 -0.545239D+01  0.661779D+01  0.834950D+00
                31            32            33            34            35 
      1  -0.612970D+01  0.287795D+01  0.264334D+01 -0.191959D+01  0.139213D+02
      2  -0.626501D+01  0.193770D+01  0.616541D+00 -0.135353D+02 -0.343259D+00
      3   0.217242D+02 -0.315676D+01 -0.368896D+01  0.185573D+01  0.584089D+00
                36            37            38            39            40 
      1   0.352708D+01 -0.118076D+01  0.489150D+01 -0.254239D+01  0.442611D+01
      2  -0.639988D+00 -0.170949D+01  0.245079D+00  0.138973D+01 -0.415522D+01
      3  -0.186926D+01  0.192381D+02 -0.311106D+01 -0.811239D+00  0.192750D+01
                41            42            43            44            45 
      1  -0.363515D+01 -0.193714D+01 -0.151183D+02  0.453117D+01 -0.110251D+01
      2  -0.463976D+01  0.810919D+00 -0.110045D+02  0.678142D+01 -0.955286D+00
      3   0.795933D+01  0.325831D+01 -0.596693D+00  0.221042D+01  0.569805D+01
                46            47            48            49            50 
      1   0.228105D+01 -0.362880D+00  0.328455D+01  0.472177D+00  0.392179D+01
      2   0.807011D+01  0.304602D+01  0.218381D+01  0.324000D+01  0.307718D+01
      3  -0.318148D+02 -0.244537D+02 -0.519465D+01 -0.789964D+01 -0.209456D+02
                51            52            53            54            55 
      1  -0.241715D+01  0.107912D+02 -0.268265D+01  0.304009D+01  0.230851D+01
      2   0.120004D+01 -0.159921D+02 -0.336861D-01  0.281715D+00  0.437143D+01
      3  -0.379037D+01 -0.740584D+01 -0.585278D+01 -0.718154D+01 -0.250912D+02
                56            57            58            59            60 
      1   0.405627D+01  0.505159D+01 -0.142603D+01  0.365332D+01 -0.190431D+01
      2   0.555184D+00 -0.320881D+01  0.370375D+01  0.244435D+01  0.344896D+01
      3  -0.121120D+02 -0.284157D+01 -0.841825D+00 -0.207891D+02 -0.773246D+00
                61            62            63            64            65 
      1   0.101931D+02 -0.220360D+01  0.127774D+01  0.693161D+00 -0.879908D+00
      2  -0.212164D+02  0.456134D+01  0.523453D+00  0.110867D+01  0.135623D-01
      3  -0.440588D+01 -0.252198D+01 -0.134695D+02 -0.432907D+01  0.203732D+01
                66            67            68            69            70 
      1   0.121545D+01  0.251506D+00 -0.148544D+01 -0.349550D+01  0.413005D+00
      2   0.298711D+00  0.405122D+00 -0.104247D+01 -0.151583D+01 -0.178055D+01
      3  -0.910060D+00  0.589980D+01  0.364001D+01  0.882432D+00 -0.634787D+00
                71            72            73            74            75 
      1   0.169203D+01  0.238201D+00  0.282143D+00  0.121591D+01 -0.204315D+01
      2   0.971073D+00  0.332038D-01 -0.338823D+01 -0.124084D+01  0.111170D+01
      3   0.110822D+01 -0.974243D+00  0.715533D+01  0.161248D+00  0.708523D+00
                76            77            78            79            80 
      1   0.120500D+01  0.257296D+01 -0.280707D+01  0.304469D+01  0.197625D+01
      2  -0.167152D+01 -0.123889D+01  0.194581D+01 -0.295865D+01 -0.403203D+00
      3   0.210640D+01 -0.231096D+01 -0.643277D-02  0.161484D+01 -0.259388D+00
                81            82            83            84            85 
      1   0.111341D+00  0.129743D+01 -0.174201D+01  0.143121D+01 -0.519091D+00
      2   0.738287D+00  0.142817D+01 -0.123857D+01  0.784369D+00 -0.114882D+01
      3  -0.998857D+00 -0.573325D+01  0.264779D+01  0.184591D+00  0.543114D+01
                86            87            88            89            90 
      1   0.378938D+01 -0.378514D+01 -0.147885D+01  0.255765D+01 -0.483876D+00
      2   0.176380D+01 -0.974461D+00 -0.395370D+00 -0.462463D+00 -0.429259D+00
      3  -0.336707D+01 -0.994999D+00 -0.224116D+00 -0.800614D+00  0.883974D+00
                91            92            93            94            95 
      1  -0.793445D+00 -0.142888D+01  0.421843D+00  0.143049D+01  0.273553D+00
      2   0.192829D+02  0.379042D+01 -0.866896D+01  0.325865D+01 -0.723264D+01
      3   0.524579D+01 -0.373556D+00 -0.110729D+01  0.170502D+02 -0.653192D+01
                96            97            98            99           100 
      1  -0.290149D+01 -0.726005D-01  0.372991D+01 -0.360011D+01 -0.186967D+01
      2  -0.398352D+01 -0.358495D+02 -0.797496D+01  0.362968D+01  0.194742D+01
      3   0.118409D+02 -0.258271D+01  0.102274D+02  0.780960D+01  0.143885D+02
               101           102           103           104           105 
      1   0.280556D+01  0.230427D+01  0.905228D+00  0.306972D+01  0.580145D+01
      2  -0.480084D+01  0.154565D+02 -0.150493D+01  0.764195D+01  0.797673D+01
      3  -0.157492D+02  0.837536D+01 -0.940753D+01  0.613276D-01 -0.121076D+02
               106           107           108           109           110 
      1  -0.722811D+00  0.987893D+01 -0.545934D-01  0.480892D+01  0.169011D+01
      2   0.709022D+01  0.122334D+02 -0.119591D+02 -0.191253D+02 -0.393484D+01
      3   0.621511D+01 -0.765686D+01 -0.159894D+02 -0.223591D+01  0.142521D+02
               111           112           113           114           115 
      1   0.531478D+01  0.108721D+02  0.529143D+01 -0.148693D+02  0.371128D+01
      2   0.136743D+01 -0.173652D+01 -0.958373D+00 -0.371533D+01  0.181048D+02
      3   0.973191D+00  0.122701D+02  0.107228D+02 -0.211555D+01  0.451986D+01
               116           117           118           119           120 
      1  -0.375790D+01 -0.235108D+01  0.575676D+00  0.116533D+01  0.234698D+00
      2  -0.492817D+00 -0.116321D+00  0.307632D+01  0.442295D+00  0.531100D+01
      3  -0.357514D+01 -0.201854D+01 -0.670933D+01 -0.538377D+01 -0.156624D+01
               121           122           123           124           125 
      1   0.259533D+00  0.223098D+01  0.303271D+00 -0.905987D-02  0.270352D+01
      2  -0.110079D+01  0.507536D+01  0.638754D+01  0.470607D+01  0.531913D+01
      3  -0.258731D+01 -0.875094D+01 -0.701072D+01 -0.114614D+01 -0.804099D+01
               126           127           128           129           130 
      1   0.781827D+00  0.888820D+00 -0.145146D+01 -0.219063D+01 -0.254553D+00
      2   0.991827D+01  0.692983D+01  0.349789D+01 -0.890047D+01  0.641817D+00
      3  -0.685079D+01  0.358870D+01  0.527851D+01 -0.602917D+01  0.325959D+01
               131           132           133           134           135 
      1  -0.336033D+00 -0.231048D+01 -0.142300D+01  0.124824D+01  0.610313D+01
      2   0.461509D+01 -0.644805D+01 -0.578085D+01 -0.922204D+01  0.239846D+02
      3   0.562407D+01 -0.530675D+01 -0.292520D+01 -0.733636D+01  0.124806D+02
               136           137           138           139           140 
      1  -0.207491D+01 -0.702703D+00 -0.160461D+01  0.659969D-01 -0.718567D+01
      2  -0.276500D+01  0.833874D+00 -0.168797D+01  0.926276D+00 -0.616049D+01
      3   0.523842D+01  0.330945D+01  0.155990D+01  0.270519D+01  0.166985D+02
               141           142           143           144           145 
      1  -0.697684D+01 -0.103068D+00 -0.477662D+01 -0.701784D+01  0.469526D+00
      2  -0.639166D+01 -0.139721D+01 -0.625498D+01 -0.723690D+01 -0.632316D+01
      3   0.702499D+01  0.166914D+01  0.113259D+02  0.842441D+01 -0.840573D+01
               146           147           148           149           150 
      1   0.167722D+01  0.181409D+01  0.102293D+01 -0.156458D+00 -0.113104D+01
      2   0.835952D-01  0.589086D+01  0.581378D+00 -0.168507D+01 -0.176848D+00
      3  -0.631356D+01 -0.464960D+00 -0.155580D+01 -0.519110D+00  0.130289D+01
               151           152           153           154           155 
      1   0.122083D+01 -0.279738D+00  0.321871D+00 -0.353146D+01 -0.153221D+01
      2   0.261464D+01 -0.158343D+01  0.236795D+01  0.928162D+01  0.272710D+00
      3  -0.136118D+01  0.813157D+00  0.545498D+00 -0.539297D+01 -0.247365D+02
               156           157           158           159           160 
      1  -0.553599D+01 -0.790564D+01 -0.331007D+01 -0.155998D+00 -0.291058D+01
      2   0.222451D+02 -0.180739D+01  0.128461D+01  0.619532D+01  0.791319D+01
      3   0.109757D+01 -0.158942D+02 -0.150479D+02  0.145276D+01  0.245261D+00
               161           162           163           164           165 
      1   0.265664D+01  0.355714D+00 -0.561269D+01 -0.239301D+01  0.607100D+00
      2   0.391152D+01 -0.160512D+01  0.819921D+01  0.370229D+01  0.123406D+01
      3   0.252431D+01 -0.213322D+01 -0.549738D+01 -0.333310D+01 -0.128913D+00
               166           167           168           169           170 
      1  -0.497079D+01 -0.551681D+00  0.424235D+01  0.168753D+01  0.734366D+01
      2   0.378692D+01 -0.502728D+01  0.139696D+01 -0.997410D+01  0.861095D+00
      3   0.116819D+01 -0.100824D+00  0.561780D+01 -0.177089D+01  0.255167D+01
               171           172           173           174           175 
      1   0.285464D+01  0.660756D+01  0.232271D+01 -0.137305D+01  0.606549D+01
      2  -0.215220D+02 -0.194284D+02 -0.245776D+01 -0.540562D+01 -0.440152D+01
      3  -0.576816D+00  0.321549D+01  0.181717D+01 -0.107912D+01  0.508827D+01
               176           177           178           179           180 
      1   0.823425D+00 -0.267139D+01 -0.148442D+01 -0.106384D+01  0.609461D+00
      2  -0.234096D+01 -0.164148D+01 -0.565741D+00  0.310688D+00 -0.163175D+01
      3   0.166256D+00  0.408479D+00 -0.164753D+01 -0.840457D+00  0.602394D+00
               181           182           183           184           185 
      1  -0.411923D+00 -0.162364D+01 -0.447292D+01  0.355758D+01 -0.245360D+01
      2  -0.115376D+01  0.115226D+01  0.537148D+01  0.290935D+01 -0.725836D+01
      3   0.221248D+02 -0.130186D+02  0.233716D+00 -0.540782D+01  0.253413D+02
               186           187           188           189           190 
      1  -0.166724D+01 -0.156672D+02  0.527304D+01 -0.274344D+01 -0.172215D+01
      2   0.596424D+00  0.169521D+00  0.100463D+02  0.400730D+01  0.992313D+01
      3   0.400576D+01 -0.355963D+00  0.525705D+01  0.282766D+01  0.870095D+01
               191           192           193           194           195 
      1  -0.579094D+01 -0.170970D+01 -0.658528D+01 -0.442590D+01  0.211932D+01
      2  -0.283399D+01 -0.186988D+00 -0.233354D+01  0.488592D+01  0.115987D+01
      3   0.192884D+02  0.435328D+01  0.455054D+02 -0.216279D+02  0.170481D+01
               196           197           198           199           200 
      1   0.114431D+01  0.121782D+02  0.280405D+01 -0.119883D+00  0.410517D+01
      2   0.163014D+01  0.294621D+01  0.332288D+01 -0.139165D+02  0.129739D+01
      3   0.983134D+01  0.123991D+01 -0.101544D+01  0.811048D+01 -0.171649D+02
               201           202           203           204           205 
      1   0.606316D+00  0.101866D+01  0.186526D+01 -0.247188D+01  0.345133D+01
      2   0.266713D+01 -0.116295D+01  0.249682D+01 -0.343311D+01 -0.208460D+02
      3  -0.218095D+01 -0.938759D+01  0.765667D+00 -0.336235D+01 -0.464598D+01
               206           207           208           209           210 
      1   0.372904D+01  0.853755D+00  0.174506D+01  0.524924D+01  0.155424D+01
      2  -0.134919D+02 -0.631646D+01  0.280820D+00  0.439861D+01  0.116765D+02
      3  -0.560601D+01  0.625226D+01 -0.147874D+02 -0.363065D+02 -0.594935D+01
               211           212           213           214           215 
      1   0.591838D+00  0.142201D+01 -0.565117D+01 -0.273897D+01  0.213488D+00
      2   0.150866D+01  0.206209D+01 -0.581048D+01 -0.393586D+01  0.496139D+01
      3   0.166451D+01 -0.715363D+01 -0.233223D+01 -0.249312D+01 -0.489202D+01
               216           217           218           219           220 
      1  -0.123746D+01 -0.231438D+01 -0.117212D+01  0.137790D+01  0.951154D+00
      2   0.108792D+01 -0.651935D+01 -0.314465D+01  0.728537D+01 -0.366580D+01
      3  -0.265458D+01  0.307055D+02 -0.105857D+02  0.700211D+01 -0.207037D+01
               221           222           223           224           225 
      1  -0.675123D+00  0.705085D+01 -0.983182D+01  0.848818D+01  0.427152D+01
      2  -0.642669D+01  0.289656D+02 -0.670938D+01  0.194499D+02  0.140300D+02
      3  -0.169214D+02  0.779214D+01  0.482958D+01  0.555256D+01 -0.245367D+02
               226           227           228           229           230 
      1   0.478335D+00 -0.575977D+00  0.165351D+01  0.401488D+00  0.649878D-01
      2   0.102915D+01 -0.922964D+00  0.167599D+00 -0.114958D+01  0.308278D+01
      3  -0.811017D+01  0.734007D+01  0.431777D+00  0.673673D+01 -0.197458D+02
               231           232           233           234           235 
      1  -0.449678D+01 -0.116750D+01  0.192643D+01 -0.613252D+00 -0.128828D+01
      2   0.702462D+00  0.224429D+00  0.482300D+00  0.746409D-01  0.173195D+01
      3  -0.305430D+01  0.719537D-01 -0.253561D+01  0.272074D+00  0.401329D+00
               236           237           238           239           240 
      1  -0.116917D+00 -0.258392D+01 -0.843219D+00  0.100862D+00 -0.354632D+01
      2   0.161245D+01  0.353325D+01  0.252965D+01  0.306702D+01  0.476670D+01
      3  -0.570359D+01 -0.479446D+00 -0.581302D+01 -0.133372D+02 -0.235513D+01
               241           242           243           244           245 
      1   0.244355D+01  0.918725D+00 -0.339124D+00  0.297702D+00 -0.497973D+00
      2  -0.216851D+01  0.178027D+01  0.136603D+01  0.155523D+00 -0.606184D+00
      3  -0.869662D+00 -0.246622D+01 -0.214792D+01  0.249107D+01 -0.241406D+01
               246           247           248           249           250 
      1   0.810242D+00 -0.626967D+00  0.329017D+00 -0.292631D+01  0.223188D+00
      2   0.486411D+00 -0.605989D+00 -0.141712D+01 -0.248397D+01 -0.130938D+01
      3   0.997920D-01 -0.680154D+00  0.145901D+02  0.205711D+01 -0.133260D-01
               251           252           253           254           255 
      1   0.146255D+01 -0.100680D+00  0.135593D+01  0.590168D+00  0.131932D+01
      2   0.101073D+01 -0.887481D-01  0.503461D+01  0.617581D-01  0.956015D+01
      3   0.289616D+01 -0.314236D+00 -0.121179D+02 -0.868688D+01 -0.146632D+01
               256           257           258           259           260 
      1   0.232372D+00  0.472864D+00 -0.666837D+00  0.178624D+01  0.730435D-01
      2   0.486415D+00  0.128293D+01  0.233767D+00  0.752906D+01 -0.168768D+01
      3  -0.603889D+01 -0.363563D+01 -0.169856D+01 -0.137125D+01 -0.230800D+01
               261           262           263           264           265 
      1   0.133819D+00 -0.642308D+00  0.143169D+00 -0.112970D+01  0.709414D+00
      2   0.194083D+01 -0.616595D+01  0.112073D+01 -0.243891D+01  0.519363D+01
      3   0.116806D+01 -0.445821D+00  0.293425D+01  0.378316D+00 -0.417419D+01
               266           267           268           269           270 
      1  -0.178351D+01 -0.382166D+01  0.373553D+01 -0.105057D+01 -0.902749D+01
      2  -0.770836D+01 -0.116360D+02  0.890787D+01 -0.122299D+02 -0.315928D+02
      3   0.122573D+02  0.861828D+01 -0.656764D+01  0.125405D+02  0.150814D+02
               271           272           273           274           275 
      1   0.119185D+00 -0.120297D+00 -0.226813D+01 -0.417887D+00  0.749971D+00
      2   0.545860D+01  0.236809D+01 -0.569887D+01 -0.279100D+01  0.117493D+02
      3   0.118171D+01  0.756017D+01 -0.463994D+01 -0.468846D+01  0.252711D+02
               276           277           278           279 
      1  -0.414965D+01  0.169304D+01 -0.838660D+00  0.472971D+01
      2  -0.140007D+02  0.304358D+01 -0.132720D+02  0.173150D+02
      3  -0.145900D+02  0.353056D+01 -0.157133D+02  0.165452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715209D+02 -0.325221D+02 -0.110832D+02  0.805861D+02  0.432801D+00
      2   0.377551D+02  0.201746D+02  0.796945D+01 -0.358338D+02  0.102188D+02
      3   0.337659D+02  0.123475D+02  0.311376D+01 -0.447523D+02 -0.106516D+02
      4  -0.872646D+01  0.149697D+02  0.283708D+01  0.110777D+02  0.225104D+02
      5  -0.930477D+01  0.875967D+00 -0.261615D+01  0.355288D+00  0.173507D+01
      6  -0.134626D+01  0.447435D+01  0.399778D+00 -0.193440D+01 -0.278257D-01
                 6             7             8             9            10 
      1   0.105347D+02  0.496361D+01 -0.171896D+01 -0.935419D+01  0.870520D+02
      2  -0.181496D+01  0.517133D+00  0.383723D+01 -0.623148D+00 -0.345495D+02
      3  -0.871978D+01 -0.548074D+01 -0.211827D+01  0.997734D+01 -0.525024D+02
      4   0.521351D+01  0.914725D+00  0.457288D+01  0.269490D+01 -0.254919D+02
      5  -0.198381D+01 -0.749093D+00  0.140014D+01 -0.324523D+01  0.425433D+01
      6   0.602786D-02 -0.276295D+01  0.395904D+01 -0.273166D+01 -0.329742D+00
                11            12            13            14            15 
      1  -0.162729D+02  0.725325D+01 -0.813501D+02 -0.290090D+02 -0.124858D+02
      2   0.132877D+02 -0.395283D+00  0.314625D+02  0.174892D+02  0.764625D+01
      3   0.298513D+01 -0.685796D+01  0.498877D+02  0.115198D+02  0.483959D+01
      4   0.136372D+02  0.209855D+01 -0.298836D+02 -0.177828D+02 -0.488000D+01
      5   0.343767D+01 -0.820983D+01 -0.368352D+01 -0.971015D+00 -0.412270D-01
      6   0.133190D+01  0.132309D+00 -0.181638D+01  0.454763D+01 -0.116890D+00
                16            17            18            19            20 
      1  -0.308769D+01 -0.603800D+01 -0.615122D+01  0.373089D+02  0.388987D+02
      2   0.330264D+01  0.397817D+01 -0.239124D+01 -0.187989D+02 -0.261931D+02
      3  -0.214941D+00  0.205984D+01  0.854246D+01 -0.185100D+02 -0.127056D+02
      4  -0.859893D+01 -0.125571D+01 -0.400967D+01  0.143446D+02 -0.185400D+02
      5   0.229565D+01 -0.165148D+01 -0.352192D+01  0.723242D+01  0.180889D+01
      6  -0.233779D+01  0.397777D+01 -0.135195D+01  0.276898D+01 -0.901505D+01
                21            22            23            24            25 
      1   0.138758D+02 -0.131927D+02  0.198494D+02  0.935438D+01  0.226709D+01
      2  -0.789234D+01  0.204332D+02 -0.221393D+02 -0.562354D+01  0.459678D+01
      3  -0.598344D+01 -0.724052D+01  0.228989D+01 -0.373084D+01 -0.686386D+01
      4  -0.601260D+00  0.110030D+02 -0.180639D+01  0.201557D+01  0.824335D+01
      5  -0.259730D+00  0.446689D+01  0.283769D+01 -0.466940D+01  0.867298D+01
      6  -0.132903D+01  0.668720D+01 -0.102687D+02  0.402138D+01  0.591304D+00
                26            27            28            29            30 
      1   0.173891D+02 -0.536664D+01  0.237996D+02  0.687301D+01 -0.692362D+01
      2  -0.112362D+02 -0.389757D+01 -0.288024D+02 -0.293011D+01  0.264843D+01
      3  -0.615297D+01  0.926421D+01  0.500281D+01 -0.394290D+01  0.427519D+01
      4   0.861363D+00 -0.482714D+01  0.115759D+02  0.118611D+02  0.177588D+01
      5  -0.780446D+01 -0.512221D+01 -0.596582D+01  0.217666D+01  0.668043D+01
      6   0.883130D+01 -0.385329D+01 -0.525139D+01  0.320853D+01  0.131403D+01
                31            32            33            34            35 
      1  -0.212198D+02 -0.543105D+02 -0.124368D+02 -0.136636D+02 -0.120658D+02
      2   0.141866D+02  0.442610D+02  0.132200D+02 -0.789389D+00  0.910823D+01
      3   0.703318D+01  0.100495D+02 -0.783268D+00  0.144530D+02  0.295757D+01
      4  -0.356053D+02  0.160370D+02  0.372098D+01 -0.114729D+02  0.495887D+01
      5  -0.136727D+02 -0.137610D+00 -0.280014D+00  0.216920D+02  0.480948D+01
      6  -0.433050D+01  0.152531D+02  0.520445D+00 -0.121879D+01  0.687839D+01
                36            37            38            39            40 
      1  -0.717155D+01 -0.117633D+02 -0.604324D+02 -0.128395D+02  0.270655D+02
      2  -0.683147D+01  0.554185D+01  0.434051D+02  0.562560D+01 -0.245074D+02
      3   0.140030D+02  0.622147D+01  0.170274D+02  0.721394D+01 -0.255811D+01
      4   0.173257D+01 -0.253789D+02 -0.710059D-02 -0.466237D+01  0.218682D+02
      5   0.304324D+01 -0.101636D+01 -0.759706D+01  0.579242D+00  0.810614D+00
      6  -0.189139D+01 -0.626292D+01  0.875666D+01  0.722856D+01 -0.542973D+01
                41            42            43            44            45 
      1   0.310730D+02  0.758032D+01 -0.175350D+01 -0.538984D+01 -0.170534D+02
      2  -0.274201D+02 -0.800450D+01 -0.117494D+02 -0.406367D+01 -0.101377D+01
      3  -0.365289D+01  0.424183D+00  0.135029D+02  0.945351D+01  0.180672D+02
      4  -0.204859D+02 -0.592736D+01 -0.917051D+01 -0.736888D+01  0.535593D+01
      5  -0.400566D+01  0.462318D+01  0.123909D+02  0.475433D+01  0.612000D+01
      6  -0.128084D+02 -0.794551D+00  0.153121D+02  0.104808D+02  0.785729D+01
                46            47            48            49            50 
      1   0.170408D+02  0.503970D+02  0.152945D+02 -0.125975D+02  0.858652D+01
      2  -0.115646D+02 -0.325876D+02 -0.583896D+01  0.112445D+02 -0.129541D+02
      3  -0.547625D+01 -0.178093D+02 -0.945552D+01  0.135302D+01  0.436758D+01
      4   0.270274D+02 -0.122372D+02  0.355951D+00  0.165651D+02  0.101810D+02
      5  -0.485886D+01 -0.122123D+00  0.142502D+01 -0.452243D+00  0.217152D+01
      6   0.205809D+01 -0.116581D+02 -0.835610D+01  0.486650D+01 -0.746245D+01
                51            52            53            54            55 
      1   0.392964D+01  0.227381D+01  0.104503D+02 -0.186709D+02 -0.226337D+02
      2  -0.602320D+01  0.251067D+01 -0.178385D+02  0.663226D+01  0.397131D+01
      3   0.209356D+01 -0.478449D+01  0.738817D+01  0.120387D+02  0.186624D+02
      4   0.408647D+01  0.654095D+01 -0.128879D+01 -0.397738D+01 -0.835035D+01
      5   0.327168D+00  0.466526D+01 -0.177143D+01 -0.497807D+01  0.405716D+01
      6   0.460587D+01 -0.555278D+01  0.166962D+02  0.462017D+01  0.137021D+01
                56            57            58            59            60 
      1   0.368266D+02  0.735710D+01 -0.545526D+01  0.157114D+02  0.646966D+01
      2  -0.311861D+02 -0.422864D+01  0.603998D+01 -0.177988D+02 -0.656251D+01
      3  -0.564051D+01 -0.312846D+01 -0.584722D+00  0.208745D+01  0.928574D-01
      4  -0.516599D+02 -0.874752D+01  0.132015D+02  0.780017D+01 -0.421569D+00
      5  -0.492677D+01 -0.598448D+01  0.461301D+01 -0.660820D+00  0.449306D+01
      6  -0.698672D+01 -0.827644D+01  0.377334D+01 -0.786504D+01  0.523759D+01
                61            62            63            64            65 
      1  -0.855338D+00  0.112198D+02 -0.252901D+02  0.514923D+01 -0.203324D+00
      2   0.158857D+01 -0.162583D+02  0.116680D+02 -0.602446D-01 -0.218951D+01
      3  -0.733233D+00  0.503852D+01  0.136221D+02 -0.508898D+01  0.239284D+01
      4   0.111627D+01 -0.113160D+02  0.596542D+01 -0.114826D+02  0.100701D+02
      5  -0.140230D+01  0.109936D+02 -0.508534D+00  0.449741D+01 -0.139559D+01
      6  -0.593245D+01  0.203237D+02  0.143083D+01 -0.286211D+01  0.166554D+01
                66            67            68            69            70 
      1   0.199221D+01  0.335624D+01 -0.185224D+02 -0.114122D+01  0.377150D+01
      2  -0.116489D+01 -0.799247D+01  0.256521D+02  0.965243D+00 -0.292788D+01
      3  -0.827318D+00  0.463623D+01 -0.712971D+01  0.175973D+00 -0.843617D+00
      4  -0.929529D+00  0.137330D+02 -0.188991D+02 -0.730108D+00  0.224949D+00
      5   0.179022D+01 -0.807714D+00 -0.636854D+00 -0.244151D+01  0.112514D+01
      6  -0.138427D+01  0.161498D+01 -0.203759D+01  0.461480D+01 -0.220882D+01
                71            72            73            74            75 
      1  -0.339240D+01 -0.189488D+01  0.125818D+01 -0.490834D+01 -0.205465D+01
      2   0.348483D+01  0.242005D+01  0.490265D+01  0.101059D+02  0.147042D+01
      3  -0.924269D-01 -0.525165D+00 -0.616083D+01 -0.519756D+01  0.584235D+00
      4  -0.214536D+01 -0.122591D+01  0.212040D+02  0.197256D+02  0.539082D+01
      5  -0.138973D+00  0.907722D-01  0.808904D+01  0.571159D+01  0.506716D+01
      6   0.152395D+01  0.885968D+00  0.724544D+01  0.730212D+01  0.477623D+01
                76            77            78            79            80 
      1  -0.894919D+01 -0.198340D+02 -0.633561D+01 -0.588256D+00 -0.409595D+01
      2   0.151860D+02  0.285023D+02  0.523529D+01  0.375496D+01  0.506361D+01
      3  -0.623685D+01 -0.866826D+01  0.110033D+01 -0.316671D+01 -0.967657D+00
      4   0.226812D+02  0.281215D+02  0.676937D+01  0.695660D+01  0.670314D+01
      5   0.657468D+01  0.709905D+01  0.508676D+01  0.210688D+01  0.337079D+01
      6   0.981796D+01  0.140185D+02  0.889822D+01  0.129114D+01  0.518011D+01
                81            82            83            84            85 
      1  -0.174357D+01 -0.459823D+01  0.937652D+01  0.100751D+01  0.793925D+01
      2   0.210936D+01  0.762115D+01 -0.138777D+02 -0.992913D+00 -0.102654D+02
      3  -0.365794D+00 -0.302292D+01  0.450115D+01 -0.145988D-01  0.232611D+01
      4   0.408261D+01 -0.747178D+01  0.142269D+02  0.201563D+01  0.952081D+01
      5   0.224795D+01 -0.248389D+01  0.352620D+01  0.264554D+01  0.255013D+01
      6   0.321098D+01  0.251096D+01 -0.336958D+01 -0.267126D+01 -0.358840D+01
                86            87            88            89            90 
      1  -0.426579D+02 -0.737281D+01  0.814964D+00 -0.637589D+01 -0.242650D+01
      2   0.561049D+02  0.667746D+01 -0.155626D+01  0.741327D+01  0.249218D+01
      3  -0.134470D+02  0.695358D+00  0.741294D+00 -0.103738D+01 -0.656761D-01
      4  -0.197708D+02 -0.303912D+01  0.150625D+01 -0.128950D+01 -0.211399D+01
      5  -0.617731D+01 -0.270473D+01  0.132259D+01 -0.233181D+01 -0.673233D+00
      6   0.150979D+02  0.927428D+01  0.140665D-01  0.531792D+01  0.236881D+01
                91            92            93            94            95 
      1  -0.307140D+02 -0.163166D+02  0.109621D+02 -0.111421D+02 -0.295144D+01
      2   0.249501D+02  0.139596D+02 -0.574882D+01  0.113613D+02  0.294814D+01
      3   0.576388D+01  0.235698D+01 -0.521330D+01 -0.219266D+00  0.329657D-02
      4  -0.186400D+02 -0.145970D+02  0.270928D+01 -0.233685D+02  0.121070D+02
      5   0.132032D+02  0.223513D+01 -0.213090D+02 -0.836849D+00 -0.247153D+02
      6   0.990082D+00 -0.485921D+01 -0.379201D+00 -0.645559D+01  0.188108D+01
                96            97            98            99           100 
      1  -0.217130D+01  0.276770D+02  0.541978D+01 -0.168217D+02 -0.625809D+02
      2   0.577587D+01 -0.193693D+02  0.392568D+00  0.122459D+02  0.366917D+02
      3  -0.360456D+01 -0.830775D+01 -0.581235D+01  0.457585D+01  0.258892D+02
      4  -0.251558D+02  0.607280D+01 -0.191255D+02 -0.140420D+02  0.191726D+02
      5  -0.697092D+01 -0.375144D+02 -0.146088D+02 -0.277103D+01 -0.285275D+02
      6  -0.890432D+01 -0.699511D+01 -0.319004D+01 -0.676133D+01  0.426695D+01
               101           102           103           104           105 
      1   0.191680D+02 -0.269681D+02 -0.153350D+01  0.979226D+01 -0.231081D+01
      2  -0.137691D+02  0.844355D+01 -0.310493D+01 -0.653161D+01 -0.138900D+02
      3  -0.539889D+01  0.185245D+02  0.463843D+01 -0.326065D+01  0.162008D+02
      4   0.163418D+02 -0.409859D+01  0.204473D+02 -0.147005D+02  0.252704D+02
      5  -0.530822D+01  0.190050D+02 -0.735424D+01  0.257090D+02  0.941948D+01
      6   0.607639D+01 -0.114898D+02  0.844672D+01 -0.109460D+02 -0.358606D+01
               106           107           108           109           110 
      1  -0.190442D+02 -0.635587D+01  0.336299D+02 -0.904098D+02 -0.175404D+02
      2   0.893957D+01 -0.107642D+02 -0.158240D+02  0.341027D+02 -0.378143D-01
      3   0.101046D+02  0.171201D+02 -0.178059D+02  0.563071D+02  0.175782D+02
      4  -0.525797D+01  0.160154D+02  0.146607D+02 -0.332003D+02 -0.261437D+02
      5   0.120527D+02  0.184783D+02 -0.110015D+02  0.131218D+02  0.699627D+01
      6  -0.625552D+01 -0.878720D+01  0.137451D+02  0.167350D+01  0.190545D+01
               111           112           113           114           115 
      1   0.760083D+01 -0.190504D+02 -0.106517D+02  0.324309D+01 -0.373198D+02
      2  -0.122747D+01  0.377473D+01  0.586122D+01 -0.622803D+00  0.277211D+02
      3  -0.637336D+01  0.152756D+02  0.479049D+01 -0.262029D+01  0.959869D+01
      4   0.494444D+01  0.440945D+01 -0.131474D+02  0.211597D+01 -0.446978D+01
      5  -0.100915D+02  0.399011D+01  0.325160D+01 -0.174284D+01  0.304163D+02
      6  -0.276090D+01  0.400584D+01  0.949559D+00  0.279135D+01  0.955367D+01
               116           117           118           119           120 
      1  -0.324545D+01  0.256745D+02  0.114715D+02  0.767900D+01  0.531885D+01
      2   0.432174D+01 -0.722915D+01 -0.908784D+01 -0.547957D+01 -0.502411D+01
      3  -0.107629D+01 -0.184454D+02 -0.238364D+01 -0.219944D+01 -0.294742D+00
      4   0.109663D+01  0.625319D+01  0.139961D+02  0.115179D+02  0.454608D+01
      5   0.628244D+01 -0.126206D+01  0.139869D+02  0.543992D+01  0.155812D+02
      6  -0.150267D+01  0.980766D+00  0.530586D+01  0.290806D+01  0.313695D+01
               121           122           123           124           125 
      1   0.165963D+02  0.694945D+00 -0.903829D+00  0.772747D+01 -0.142898D+01
      2  -0.107510D+02 -0.562286D+00 -0.237586D+01 -0.819344D+01 -0.311920D+01
      3  -0.584533D+01 -0.132659D+00  0.327969D+01  0.465976D+00  0.454819D+01
      4   0.154144D+02  0.186587D+02  0.153424D+02  0.607943D+01  0.154412D+02
      5   0.108509D+02  0.156434D+02  0.150115D+02  0.215819D+02  0.133905D+02
      6   0.468964D+01  0.933386D+01  0.971757D+01  0.498582D+01  0.839624D+01
               126           127           128           129           130 
      1  -0.671810D+00 -0.585028D+01 -0.965152D+01  0.191338D+02 -0.194708D+01
      2  -0.963437D+01  0.300581D+00  0.584903D+01 -0.425292D+01  0.958055D+00
      3   0.103062D+02  0.554969D+01  0.380249D+01 -0.148808D+02  0.989030D+00
      4   0.134737D+02  0.705385D+00 -0.637391D+01  0.257333D+01  0.542956D+00
      5   0.279853D+02  0.397588D+01  0.457239D+01 -0.930747D+01 -0.602249D+00
      6   0.950161D+01 -0.349551D+01 -0.626945D+01  0.999209D+01 -0.131164D+01
               131           132           133           134           135 
      1  -0.117730D+02  0.105928D+02  0.127432D+02  0.132901D+02 -0.349335D+02
      2   0.714460D+01 -0.399790D+01 -0.507200D+01 -0.384154D+01 -0.104099D+01
      3   0.462837D+01 -0.659487D+01 -0.767115D+01 -0.944854D+01  0.359745D+02
      4  -0.692671D+01  0.579661D+01 -0.683904D+01  0.123252D+02 -0.142615D+02
      5   0.558667D+01 -0.968910D+01  0.544975D+01 -0.169922D+02  0.389445D+02
      6  -0.854935D+01  0.128500D+02  0.169513D+00  0.159231D+02 -0.271214D+02
               136           137           138           139           140 
      1   0.830619D+00 -0.696482D+01 -0.164514D+01 -0.716541D+01 -0.129888D+02
      2   0.184548D+01  0.578824D+01  0.234858D+01  0.167909D+01  0.260326D+02
      3  -0.267610D+01  0.117659D+01 -0.703432D+00  0.548632D+01 -0.130438D+02
      4  -0.248626D+01 -0.221090D+01  0.185446D+01  0.876789D+01 -0.284814D+02
      5  -0.282108D+01  0.153722D+00 -0.369626D+01 -0.152677D+00 -0.121241D+02
      6   0.216635D+01 -0.873003D+00  0.275511D+01 -0.421321D+00  0.365971D+01
               141           142           143           144           145 
      1  -0.399582D+01 -0.699757D+01 -0.410234D+01 -0.868377D+01  0.100769D+03
      2   0.111773D+02  0.221738D+01  0.139638D+02  0.987875D+01 -0.533752D+02
      3  -0.718146D+01  0.478019D+01 -0.986144D+01 -0.119498D+01 -0.473937D+02
      4  -0.109533D+02  0.102050D+02 -0.218069D+02 -0.101377D+02 -0.428111D+02
      5  -0.124442D+02 -0.958251D+00 -0.113195D+02 -0.152031D+02  0.384025D+02
      6   0.759777D+01  0.836561D+00  0.592414D+01  0.739437D+01 -0.847417D+01
               146           147           148           149           150 
      1  -0.148112D+02  0.149984D+02 -0.333914D+01  0.746516D+01 -0.125841D+00
      2   0.445225D+01 -0.107830D+02 -0.134081D+01 -0.239434D+01  0.471036D+00
      3   0.103590D+02 -0.421540D+01  0.467995D+01 -0.507083D+01 -0.345195D+00
      4   0.203477D+02 -0.848217D+01  0.122349D+02 -0.406353D+01 -0.338134D-01
      5  -0.784830D+01  0.193365D+02 -0.299449D+00  0.134802D+01 -0.360731D+00
      6   0.463901D+01 -0.499737D+01  0.281871D+01 -0.989703D-01  0.185039D+01
               151           152           153           154           155 
      1   0.107867D+02 -0.797127D+00  0.671148D+01  0.192464D+03  0.323791D+02
      2  -0.863026D+01  0.209101D+01 -0.587837D+01 -0.879339D+02 -0.881355D+01
      3  -0.215645D+01 -0.129388D+01 -0.833114D+00 -0.104530D+03 -0.235655D+02
      4  -0.394479D+01  0.370168D+00 -0.548783D+01  0.522233D+02  0.474601D+02
      5   0.171265D+02 -0.457572D+01  0.991962D+01 -0.335613D+02 -0.916616D+01
      6  -0.362143D+01  0.280027D+01 -0.315301D+01 -0.142729D+01 -0.409268D+01
               156           157           158           159           160 
      1  -0.835543D+01  0.306802D+02  0.341458D+02 -0.130617D+00 -0.937828D+01
      2   0.901896D+01 -0.624616D+01 -0.771171D+01  0.667303D+00  0.934486D+01
      3  -0.663528D+00 -0.244340D+02 -0.264341D+02 -0.536686D+00  0.334215D-01
      4  -0.655463D+01  0.538563D+02  0.373417D+02 -0.435813D+01 -0.542532D+01
      5   0.392546D+02 -0.555570D+01 -0.808963D+01  0.895936D+01  0.371839D+02
      6   0.356193D+01 -0.828965D+01 -0.474820D+01  0.626914D+01  0.442550D+01
               161           162           163           164           165 
      1  -0.115006D+01  0.210702D+02  0.532763D+02  0.100106D+02 -0.181791D+02
      2   0.119432D+01 -0.142273D+02 -0.354249D+02 -0.434531D+01  0.111261D+02
      3  -0.442649D-01 -0.684288D+01 -0.178514D+02 -0.566532D+01  0.705303D+01
      4  -0.309983D+01  0.888387D+01  0.156538D+02  0.756950D+01 -0.113612D+01
      5   0.884874D+01 -0.974194D+01 -0.329663D+02 -0.152823D+01  0.190005D+02
      6   0.558378D+01 -0.219945D+01 -0.572809D+01 -0.789180D+00  0.958718D+00
               166           167           168           169           170 
      1   0.155228D+02 -0.885124D+01  0.101733D+01  0.443270D+01  0.326102D+01
      2  -0.899490D+01  0.258477D+01 -0.100754D+01  0.847471D-01 -0.209288D+01
      3  -0.652788D+01  0.626647D+01 -0.979662D-02 -0.451745D+01 -0.116814D+01
      4   0.534909D+01 -0.147257D+01 -0.906202D+01  0.228359D+01 -0.458597D+01
      5  -0.632194D+01 -0.870058D+01  0.136942D+01  0.109707D+02  0.571489D+00
      6  -0.263066D+01 -0.197324D+01  0.113851D+02 -0.144281D+01  0.999702D+01
               171           172           173           174           175 
      1  -0.328798D+02 -0.503185D+02 -0.497720D+01 -0.214340D+01 -0.131277D+02
      2  -0.106696D+02  0.306629D+02  0.292476D+01 -0.718139D+01  0.922137D+01
      3   0.435494D+02  0.196556D+02  0.205244D+01  0.932479D+01  0.390629D+01
      4  -0.160403D+01 -0.112305D+02 -0.466933D+01  0.115797D+01 -0.190330D+01
      5  -0.373191D+02  0.257237D+02  0.182015D+01 -0.167477D+02  0.647941D+01
      6  -0.211727D+01  0.480033D+01  0.325299D+01 -0.140341D+01  0.174332D+01
               176           177           178           179           180 
      1  -0.452869D+01 -0.137715D+00  0.123217D+02  0.187319D+01 -0.831657D+01
      2   0.280021D+01 -0.241755D+01 -0.113776D+02 -0.161438D+01  0.457791D+01
      3   0.172848D+01  0.255527D+01 -0.944061D+00 -0.258814D+00  0.373866D+01
      4  -0.700931D+00 -0.198426D+01  0.513291D+01  0.857179D+00 -0.180349D+01
      5  -0.155224D+01 -0.496164D+01 -0.108030D+02 -0.105797D+01  0.382599D+01
      6   0.129108D+01  0.211933D+01 -0.183605D+01  0.416442D+00  0.140712D+01
               181           182           183           184           185 
      1   0.323729D+02 -0.523050D+02 -0.671730D+01  0.401045D+02  0.237065D+02
      2  -0.153905D+02  0.427341D+02  0.372722D+01 -0.282485D+02 -0.233514D+02
      3  -0.169824D+02  0.957093D+01  0.299008D+01 -0.118560D+02 -0.355102D+00
      4  -0.896941D+01  0.369717D+02 -0.692435D+00  0.119177D+02 -0.313428D+02
      5  -0.816343D+01 -0.272300D+01  0.809716D+01 -0.123582D+01 -0.107138D+02
      6  -0.616461D+01  0.856334D+00  0.697415D+01 -0.688877D+01 -0.928157D+01
               186           187           188           189           190 
      1   0.608423D+01  0.509406D+01 -0.632065D+01  0.206458D+01  0.120405D+03
      2  -0.639564D+01 -0.128607D+02 -0.183775D+01 -0.783611D+01 -0.637875D+02
      3   0.311411D+00  0.776663D+01  0.815841D+01  0.577153D+01 -0.566178D+02
      4  -0.967137D+01 -0.105634D+02 -0.103894D+02  0.205637D+02  0.156676D+01
      5   0.403993D+01  0.301803D+02  0.170626D+02  0.105346D+02  0.103329D+01
      6   0.124087D+01  0.212568D+02  0.131356D+02  0.555429D+01 -0.266219D+01
               191           192           193           194           195 
      1   0.109057D+02  0.108215D+02  0.561424D+02 -0.441445D+02 -0.665082D+01
      2   0.177375D+01 -0.310454D+01 -0.220952D+02  0.437458D+02  0.106409D+02
      3  -0.126795D+02 -0.771697D+01 -0.340471D+02  0.398709D+00 -0.399004D+01
      4   0.134626D+02  0.175628D+01 -0.436259D+02  0.577726D+02  0.409052D+01
      5   0.289089D+01  0.250792D+01 -0.117868D+02  0.760189D+01  0.257031D+01
      6   0.831932D-01  0.283919D+01 -0.350380D+01  0.803027D+01 -0.287072D+01
               196           197           198           199           200 
      1   0.125264D+02 -0.120172D+02  0.223442D+02 -0.105918D+03  0.186986D+02
      2  -0.717771D+01  0.108337D+02 -0.191070D+02  0.431794D+02 -0.192200D+02
      3  -0.534866D+01  0.118347D+01 -0.323726D+01  0.627384D+02  0.521393D+00
      4  -0.165274D+02  0.920523D+01  0.348361D+01  0.252091D+02 -0.284443D+02
      5   0.448742D+02  0.941945D+01  0.817941D+01 -0.587027D+01 -0.247840D+01
      6   0.177578D+01  0.512783D+01 -0.263239D+01  0.206389D+01 -0.438889D+01
               201           202           203           204           205 
      1  -0.555938D+01 -0.910167D+02  0.127530D+02 -0.279301D+01 -0.275106D+02
      2   0.116219D+01  0.546815D+02 -0.197894D+02 -0.447751D+00  0.161202D+02
      3   0.439719D+01  0.363352D+02  0.703639D+01  0.324077D+01  0.113903D+02
      4  -0.799549D+00  0.218327D+02 -0.199433D+02  0.341410D+01  0.900302D+01
      5   0.630054D+01 -0.257499D+01  0.182091D+01 -0.848976D+01  0.341438D+01
      6  -0.120354D+01  0.597266D+01 -0.705015D+01  0.553459D+01 -0.178079D+01
               206           207           208           209           210 
      1   0.109779D+02 -0.150798D+02  0.206343D+02  0.606343D+01 -0.596016D+00
      2  -0.109666D+02 -0.236415D+01 -0.136474D+02 -0.461635D+01 -0.163524D+01
      3  -0.112457D-01  0.174439D+02 -0.698689D+01 -0.144708D+01  0.223125D+01
      4  -0.480113D+00 -0.175530D+02  0.162738D+02  0.114523D+02 -0.498466D+00
      5  -0.220524D+02 -0.120532D+02  0.563134D+01 -0.138684D+01  0.213991D+02
      6   0.911482D+01 -0.967938D+00  0.509771D+00  0.198633D+01 -0.255046D+01
               211           212           213           214           215 
      1   0.169776D+02  0.376229D+01  0.427692D+01  0.250876D+01 -0.516739D+00
      2  -0.860171D+01 -0.122792D+01 -0.454247D+01 -0.336090D+01 -0.147617D+01
      3  -0.837591D+01 -0.253436D+01  0.265546D+00  0.852146D+00  0.199291D+01
      4   0.264019D+02  0.195657D+02  0.590501D+01  0.324311D+01  0.241088D+01
      5   0.578756D+01  0.428981D+01 -0.108963D+02  0.142630D+02  0.546051D+01
      6   0.688688D+00 -0.108205D+01  0.960337D+01  0.123432D+01  0.389010D+01
               216           217           218           219           220 
      1   0.435505D+01 -0.752042D+02 -0.835339D+01 -0.159761D+02 -0.260658D+02
      2  -0.430702D+01  0.435724D+02  0.123292D+01  0.956476D+01  0.108849D+02
      3  -0.480373D-01  0.316318D+02  0.712047D+01  0.641133D+01  0.151809D+02
      4   0.652741D+01 -0.137984D+02  0.246118D+02 -0.376408D+01  0.130881D+01
      5   0.451263D+01 -0.153164D+02 -0.411214D+01  0.947896D+01 -0.897503D+01
      6   0.233443D+01  0.850867D+00  0.300432D+01 -0.369068D+01  0.578632D+00
               221           222           223           224           225 
      1   0.196644D+02 -0.150412D+02 -0.152601D+02 -0.915672D+01  0.133314D+02
      2  -0.111884D+02  0.114907D+02  0.599067D+01  0.795535D+01 -0.102589D+02
      3  -0.847603D+01  0.355054D+01  0.926939D+01  0.120137D+01 -0.307252D+01
      4   0.265363D+01 -0.137975D+02 -0.589918D+01 -0.830128D+01  0.342120D+02
      5  -0.138436D+02  0.554950D+02 -0.119990D+02  0.351721D+02  0.275650D+02
      6   0.677013D+01 -0.202569D+02  0.814201D+01 -0.143954D+02 -0.538590D+01
               226           227           228           229           230 
      1  -0.776043D+01  0.165327D+02  0.148204D+01  0.827140D+01 -0.503934D+02
      2   0.885188D+01 -0.186041D+02 -0.145090D+01 -0.902499D+01  0.638397D+02
      3  -0.109145D+01  0.207132D+01 -0.311405D-01  0.753593D+00 -0.134462D+02
      4  -0.219323D+01  0.472990D+01  0.769688D+00  0.291016D+01  0.123777D+02
      5  -0.782635D+00  0.133123D+01  0.100602D+01  0.276360D+00 -0.684319D+00
      6   0.750346D+00 -0.123820D+01 -0.248351D+01 -0.156138D+01  0.764888D+01
               231           232           233           234           235 
      1  -0.722388D+01  0.231926D+00 -0.681085D+01 -0.167986D+01  0.253045D+02
      2   0.699904D+01 -0.927564D+00  0.810276D+01  0.234575D+01 -0.349582D+01
      3   0.224838D+00  0.695638D+00 -0.129191D+01 -0.665883D+00 -0.218087D+02
      4   0.141149D+01 -0.841371D-01  0.267634D+01 -0.712246D+00  0.426780D+02
      5   0.139336D+01  0.206260D+01 -0.447871D+00  0.221365D+00  0.100202D+02
      6   0.821714D+01  0.563365D+00  0.405254D+01  0.185425D+01  0.610285D+01
               236           237           238           239           240 
      1   0.131492D+02  0.415774D+01  0.114749D+02  0.244253D+01  0.742581D+00
      2   0.369680D+01 -0.975452D+00  0.925423D+01  0.207297D+02  0.261485D+01
      3  -0.168460D+02 -0.318229D+01 -0.207291D+02 -0.231723D+02 -0.335743D+01
      4   0.372657D+02  0.943890D+01  0.447776D+02  0.545959D+02  0.120793D+02
      5   0.719831D+01  0.798112D+01  0.926831D+01  0.919451D+01  0.881642D+01
      6   0.524197D+01  0.487411D+01  0.764391D+01  0.942564D+01  0.792881D+01
               241           242           243           244           245 
      1   0.533575D+01  0.174392D+01 -0.620160D+00  0.599787D+01 -0.979389D+01
      2   0.124062D+01  0.304406D+01  0.181927D+01 -0.231770D+00  0.238913D+01
      3  -0.657637D+01 -0.478798D+01 -0.119911D+01 -0.576610D+01  0.740476D+01
      4   0.130551D+02  0.129627D+02  0.638693D+01 -0.165583D+02  0.144990D+02
      5   0.215207D+01  0.475159D+01  0.356290D+01 -0.250342D+01  0.115676D+01
      6   0.101579D+01  0.467738D+01  0.293985D+01  0.687188D+00 -0.128968D-01
               246           247           248           249           250 
      1  -0.119971D+01 -0.122999D+02 -0.307518D+01 -0.109169D+01 -0.162759D+01
      2   0.506225D+00 -0.162650D+00  0.155604D+02  0.825864D+00  0.461855D+00
      3   0.693481D+00  0.124625D+02 -0.124852D+02  0.265828D+00  0.116574D+01
      4   0.619910D+00  0.254792D+02 -0.382334D+02 -0.397797D+01  0.263388D+01
      5   0.148710D+01  0.342848D+01 -0.639350D+01 -0.504242D+01  0.119823D+01
      6  -0.737736D+00 -0.141428D+01  0.317097D+01  0.448467D+01 -0.197507D+01
               251           252           253           254           255 
      1  -0.174101D+01 -0.135332D+01  0.195543D+03 -0.316163D+01  0.169496D+02
      2   0.245024D+01  0.190908D+01 -0.102615D+03 -0.290387D+00 -0.989766D+01
      3  -0.709231D+00 -0.555756D+00 -0.929279D+02  0.345201D+01 -0.705196D+01
      4  -0.546014D+01 -0.786981D+00 -0.201229D+02  0.157577D+02 -0.180388D+01
      5  -0.130782D+00 -0.482625D+00  0.191420D+02 -0.417777D+00  0.192668D+02
      6   0.161513D+01  0.111458D+01 -0.312658D+01  0.755565D+00 -0.248888D+01
               256           257           258           259           260 
      1   0.224031D+02  0.144601D+02  0.258519D+01  0.222128D+02  0.434180D+00
      2  -0.139808D+02 -0.738841D+01 -0.203921D+01 -0.130290D+02 -0.892023D+00
      3  -0.842224D+01 -0.707169D+01 -0.545982D+00 -0.918389D+01  0.457843D+00
      4   0.157042D+02  0.423548D+01  0.310143D+01 -0.262326D+01  0.375063D+01
      5   0.175659D+01  0.334984D+01  0.759636D+00  0.234172D+02 -0.319605D+01
      6   0.501284D+00 -0.438802D+00  0.156339D+01 -0.258275D+01  0.237837D+01
               261           262           263           264           265 
      1   0.162011D+02  0.647163D+01 -0.231617D+01 -0.930227D+01 -0.414318D+01
      2  -0.961079D+01 -0.390925D+01  0.193690D+01  0.381343D+01  0.302387D+00
      3  -0.659033D+01 -0.256238D+01  0.379273D+00  0.548884D+01  0.384079D+01
      4  -0.424260D+01  0.131136D-01 -0.188055D+01  0.377334D+01  0.159365D+02
      5   0.538198D+01 -0.876307D+01  0.263466D+01 -0.247382D+01  0.121054D+02
      6  -0.549620D+00  0.254927D+01 -0.515277D+00  0.207232D+01 -0.419066D+01
               266           267           268           269           270 
      1   0.107519D+01  0.304975D+01 -0.325438D+02  0.849486D+01  0.155626D+01
      2   0.302167D+01  0.715683D+00  0.179089D+02 -0.235492D+01 -0.658061D+01
      3  -0.409686D+01 -0.376543D+01  0.146349D+02 -0.613994D+01  0.502436D+01
      4  -0.188979D+02 -0.151917D+02  0.247234D+02 -0.217187D+02 -0.228732D+02
      5  -0.154838D+02 -0.228448D+02  0.307936D+02 -0.235283D+02 -0.611903D+02
      6   0.609515D+01  0.103215D+02 -0.916402D+01  0.102979D+02  0.169104D+02
               271           272           273           274           275 
      1  -0.631359D+01 -0.515117D+01  0.118758D+02 -0.916309D+01 -0.665549D+01
      2   0.294391D+01  0.479142D+01 -0.589940D+01  0.175670D+01  0.134250D+02
      3   0.336968D+01  0.359756D+00 -0.597637D+01  0.740639D+01 -0.676951D+01
      4   0.372563D+01 -0.761625D+01  0.277631D+01  0.211178D+02 -0.388459D+02
      5   0.593724D+01  0.366751D+01 -0.936216D+01 -0.900178D+01  0.232510D+02
      6  -0.154009D+01 -0.338048D+01  0.518713D+01  0.532131D+01 -0.139118D+02
               276           277           278           279 
      1   0.713933D+01  0.216718D+02  0.241683D+01 -0.933019D+01
      2  -0.785957D+01 -0.954838D+01 -0.462739D+01  0.267243D+01
      3   0.720234D+00 -0.121235D+02  0.221056D+01  0.665776D+01
      4   0.242544D+02 -0.170588D+02  0.254243D+02 -0.246181D+02
      5  -0.268011D+02  0.156901D+02 -0.247010D+02  0.323423D+02
      6   0.137079D+02 -0.704344D+01  0.134738D+02 -0.147710D+02
 Leave Link  716 at Tue Aug 17 20:14:00 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293673D+03  0.845720D+01  0.154035D+02
      2   0.845720D+01  0.172098D+03  0.862329D+01
      3   0.154035D+02  0.862329D+01  0.117832D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.146323D+01 -0.291644D+02 -0.151854D+01
      2   0.636723D+02  0.196478D+02 -0.153898D+02
      3   0.403299D+02 -0.558998D+02 -0.168118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.268452D+03 -0.529425D+02  0.664722D+02
      2  -0.113534D+03  0.543037D+02 -0.176275D+02
      3  -0.154918D+03 -0.136118D+01 -0.488447D+02
      4  -0.471438D+02  0.119904D+03  0.489631D+02
      5  -0.439112D+00  0.519769D+02 -0.393669D+02
      6   0.194650D+02 -0.519775D+02 -0.170699D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348021D+02 -0.370955D+01 -0.315797D+01  0.420025D+02  0.912177D+01
      2  -0.370955D+01 -0.114530D+01 -0.991164D+00  0.912177D+01  0.905785D+01
      3  -0.315797D+01 -0.991164D+00 -0.765626D-01  0.591601D+01  0.235817D+01
                 6             7             8             9            10 
      1   0.591601D+01  0.404647D+01  0.125799D+01 -0.308146D+00  0.386057D+02
      2   0.235817D+01  0.125799D+01  0.107192D+01  0.142335D+01  0.452975D+01
      3   0.729101D+00 -0.308146D+00  0.142335D+01  0.484882D+00  0.365356D+01
                11            12            13            14            15 
      1   0.452975D+01  0.365356D+01 -0.421493D+02 -0.852377D+01 -0.600021D+01
      2   0.435821D+01  0.100023D+01 -0.852377D+01 -0.768533D+01 -0.246155D+01
      3   0.100023D+01  0.220334D+00 -0.600021D+01 -0.246155D+01 -0.774444D+00
                16            17            18            19            20 
      1  -0.276457D+01 -0.104131D+01  0.725686D+00  0.376583D+02  0.559477D+01
      2  -0.104131D+01 -0.465627D+00 -0.121008D+01  0.559477D+01  0.438096D+01
      3   0.725686D+00 -0.121008D+01 -0.380104D+00  0.323884D+01  0.985444D+00
                21            22            23            24            25 
      1   0.323884D+01  0.205687D+02  0.206405D+01  0.625774D+00  0.888050D+01
      2   0.985444D+00  0.206405D+01  0.464622D+01  0.245486D+00  0.980852D-01
      3   0.447410D+00  0.625774D+00  0.245486D+00  0.207230D+01 -0.821826D+00
                26            27            28            29            30 
      1   0.980852D-01 -0.821826D+00 -0.455283D+02 -0.482498D+01 -0.101133D+01
      2   0.412788D-01  0.361219D+01 -0.482498D+01 -0.284976D+01 -0.340284D+00
      3   0.361219D+01  0.107120D+01 -0.101133D+01 -0.340284D+00 -0.196228D+01
                31            32            33            34            35 
      1  -0.109607D+02 -0.288001D+00  0.581260D+00 -0.563836D+01  0.599766D+00
      2  -0.288001D+00 -0.890967D+01 -0.221652D+01  0.599766D+00 -0.225723D+01
      3   0.581260D+00 -0.221652D+01 -0.687521D+00 -0.586422D+01 -0.133713D+01
                36            37            38            39            40 
      1  -0.586422D+01 -0.722529D+01  0.328626D+00 -0.395033D+00 -0.759299D+01
      2  -0.133713D+01  0.328626D+00 -0.909769D+01 -0.152296D+01 -0.240183D+01
      3  -0.180773D+01 -0.395033D+00 -0.152296D+01 -0.185562D+01  0.482602D+00
                41            42            43            44            45 
      1  -0.240183D+01  0.482602D+00 -0.154601D+01  0.997440D+00 -0.426116D+01
      2   0.323932D+01  0.136039D+01  0.997440D+00  0.192482D+00 -0.246909D+01
      3   0.136039D+01 -0.521958D+00 -0.426116D+01 -0.246909D+01 -0.290419D+01
                46            47            48            49            50 
      1   0.116916D+02  0.141557D+01  0.179018D+01 -0.489242D-01 -0.924048D+00
      2   0.141557D+01  0.626647D+01  0.224386D+01 -0.924048D+00 -0.424685D+00
      3   0.179018D+01  0.224386D+01  0.219446D+01 -0.192416D+00  0.879786D+00
                51            52            53            54            55 
      1  -0.192416D+00  0.124551D+01  0.350435D+00  0.180217D+01 -0.132381D+02
      2   0.879786D+00  0.350435D+00  0.225842D+01 -0.343136D+01 -0.328655D+01
      3  -0.991181D+00  0.180217D+01 -0.343136D+01 -0.118074D+01 -0.194750D+01
                56            57            58            59            60 
      1  -0.328655D+01 -0.194750D+01 -0.189751D+01  0.546824D+00 -0.181209D+00
      2  -0.933326D+01 -0.194908D+01  0.546824D+00 -0.278763D+00 -0.841228D+00
      3  -0.194908D+01 -0.199885D+01 -0.181209D+00 -0.841228D+00  0.109355D+01
                61            62            63            64            65 
      1  -0.169109D+01 -0.504018D+00 -0.182645D+01 -0.253876D+01  0.238038D+01
      2  -0.504018D+00 -0.267247D+01  0.334618D+01  0.238038D+01 -0.134823D+01
      3  -0.182645D+01  0.334618D+01  0.768285D+00 -0.342549D+00  0.221427D+00
                66            67            68            69            70 
      1  -0.342549D+00  0.317146D+01 -0.299600D+01 -0.605189D-01 -0.449971D+00
      2   0.221427D+00 -0.299600D+01  0.596193D+01  0.276061D+00 -0.549395D-01
      3  -0.225607D+00 -0.605189D-01  0.276061D+00  0.733987D+00 -0.235827D-01
                71            72            73            74            75 
      1  -0.549395D-01 -0.235827D-01 -0.495024D+01 -0.295418D+01 -0.113330D+01
      2   0.807610D+00  0.113520D+00 -0.295418D+01 -0.301579D+01 -0.884745D+00
      3   0.113520D+00  0.884237D-03 -0.113330D+01 -0.884745D+00 -0.740368D+00
                76            77            78            79            80 
      1  -0.344712D+01 -0.410075D+01 -0.122701D+01 -0.147836D+01 -0.120337D+01
      2  -0.410075D+01 -0.602519D+01 -0.154713D+01 -0.120337D+01 -0.135207D+01
      3  -0.122701D+01 -0.154713D+01 -0.119673D+01  0.888577D-01 -0.604427D+00
                81            82            83            84            85 
      1   0.888577D-01  0.141509D+01 -0.176947D+01 -0.207156D+00 -0.948482D+00
      2  -0.604427D+00 -0.176947D+01  0.271402D+01  0.304702D+00  0.202167D+01
      3  -0.292364D+00 -0.207156D+00  0.304702D+00  0.310113D+00  0.426105D+00
                86            87            88            89            90 
      1   0.202167D+01  0.426105D+00 -0.531577D-01  0.150033D+00 -0.673139D-01
      2  -0.932557D+01 -0.142500D+01  0.150033D+00 -0.143689D+01 -0.400534D+00
      3  -0.142500D+01 -0.110211D+01 -0.673139D-01 -0.400534D+00 -0.240284D+00
                91            92            93            94            95 
      1   0.198180D+02  0.324975D+01 -0.168270D+01  0.290865D+01  0.264415D+01
      2   0.324975D+01  0.168904D+01 -0.721051D+00  0.264415D+01 -0.117403D+01
      3  -0.168270D+01 -0.721051D+00  0.279853D+01 -0.286139D+00  0.297527D+01
                96            97            98            99           100 
      1  -0.286139D+00 -0.692012D+01 -0.129194D+01  0.557984D+01  0.722628D+01
      2   0.297527D+01 -0.129194D+01  0.176794D+01  0.215518D+01 -0.561480D+00
      3   0.118538D+01  0.557984D+01  0.215518D+01 -0.162779D+00  0.179191D+01
               101           102           103           104           105 
      1  -0.561480D+00  0.179191D+01  0.258099D+01 -0.238866D+01  0.104268D+01
      2  -0.214913D+01  0.129185D+01 -0.238866D+01  0.139100D+01 -0.291153D+01
      3   0.129185D+01 -0.317395D+01  0.104268D+01 -0.291153D+01 -0.170500D+01
               106           107           108           109           110 
      1   0.201777D+01  0.111076D+01 -0.202473D+01  0.388133D+01  0.187846D+01
      2   0.111076D+01 -0.191040D+01 -0.296511D+01  0.187846D+01  0.839039D+00
      3  -0.202473D+01 -0.296511D+01  0.269894D+01  0.635869D-01 -0.377340D+00
               111           112           113           114           115 
      1   0.635869D-01  0.133223D+01 -0.551143D+00  0.293408D+00  0.117794D+02
      2  -0.377340D+00 -0.551143D+00  0.218642D+00 -0.147064D+00  0.128736D+01
      3  -0.753798D+00  0.293408D+00 -0.147064D+00 -0.548354D+00 -0.498517D+01
               116           117           118           119           120 
      1   0.128736D+01 -0.498517D+01 -0.282541D+01 -0.158675D+01 -0.140315D+01
      2   0.508942D+00 -0.605806D+00 -0.158675D+01 -0.979222D+00 -0.400398D+00
      3  -0.605806D+00 -0.113579D-01 -0.140315D+01 -0.400398D+00 -0.151301D+01
               121           122           123           124           125 
      1  -0.525630D+01 -0.181565D+01 -0.101746D+01 -0.232169D+01 -0.496574D+00
      2  -0.181565D+01 -0.252292D+01 -0.198670D+01 -0.496574D+00 -0.194853D+01
      3  -0.101746D+01 -0.198670D+01 -0.197104D+01 -0.233779D+01 -0.177039D+01
               126           127           128           129           130 
      1  -0.233779D+01  0.815711D+00  0.231869D+00 -0.108745D+01 -0.259959D+00
      2  -0.177039D+01  0.231869D+00  0.119315D+01 -0.107138D+01  0.261697D+00
      3  -0.364153D+01 -0.108745D+01 -0.107138D+01  0.237473D+01 -0.148467D+00
               131           132           133           134           135 
      1   0.261697D+00 -0.148467D+00 -0.178312D+01  0.290172D+00  0.240151D+00
      2   0.137428D+01 -0.119011D+01  0.290172D+00 -0.203811D+01  0.273044D+01
      3  -0.119011D+01  0.171343D+01  0.240151D+00  0.273044D+01 -0.676709D+01
               136           137           138           139           140 
      1   0.273837D+00  0.307110D+00  0.564967D+00  0.129127D+01 -0.558512D+00
      2   0.307110D+00  0.677020D+00 -0.109382D+00 -0.558512D+00  0.408316D+01
      3   0.564967D+00 -0.109382D+00  0.642681D+00 -0.101478D+00  0.153336D+01
               141           142           143           144           145 
      1  -0.101478D+00  0.168561D+01 -0.919656D+00  0.201062D+00 -0.124991D+02
      2   0.153336D+01 -0.919656D+00  0.288963D+01  0.158284D+01  0.242749D+01
      3   0.172538D+01  0.201062D+00  0.158284D+01  0.200294D+01 -0.221855D+01
               146           147           148           149           150 
      1   0.242749D+01 -0.221855D+01  0.751383D+00 -0.962403D+00 -0.396935D-01
      2  -0.155997D+01  0.584575D+00 -0.962403D+00  0.124435D+00  0.559880D-01
      3   0.584575D+00 -0.151058D+01 -0.396935D-01  0.559880D-01  0.317811D-01
               151           152           153           154           155 
      1  -0.143984D+01  0.145203D+00 -0.129494D+01 -0.183446D+02 -0.365999D+01
      2   0.145203D+00  0.498922D-01  0.508356D+00 -0.365999D+01 -0.273688D+01
      3  -0.129494D+01  0.508356D+00 -0.940978D+00  0.109491D+01  0.762077D+00
               156           157           158           159           160 
      1   0.109491D+01 -0.460395D+01 -0.454577D+01  0.213046D+00  0.187485D+01
      2   0.762077D+00 -0.454577D+01 -0.296047D+01  0.451517D+00  0.534918D+00
      3  -0.297918D+01  0.213046D+00  0.451517D+00 -0.637360D+00 -0.273225D+01
               161           162           163           164           165 
      1   0.534918D+00 -0.273225D+01 -0.122118D+02 -0.158780D+01  0.448106D+01
      2  -0.131496D+00 -0.862149D+00 -0.158780D+01  0.275549D+00  0.118722D-01
      3  -0.862149D+00  0.402731D+00  0.448106D+01  0.118722D-01 -0.101168D+01
               166           167           168           169           170 
      1  -0.351248D+01  0.227085D-01  0.747910D+00  0.506450D+00 -0.486119D+00
      2   0.227085D-01  0.237017D+00  0.125808D+01 -0.486119D+00  0.603403D+00
      3   0.747910D+00  0.125808D+01 -0.278147D+00 -0.178446D+00 -0.353306D+00
               171           172           173           174           175 
      1  -0.178446D+00  0.106302D+02  0.965002D+00 -0.254139D+01  0.285174D+01
      2  -0.353306D+00  0.965002D+00  0.181703D+00 -0.177768D+00  0.138151D-01
      3   0.660951D+01 -0.254139D+01 -0.177768D+00  0.291389D+01 -0.855659D+00
               176           177           178           179           180 
      1   0.138151D-01 -0.855659D+00 -0.513807D+01 -0.413138D+00  0.206235D+01
      2   0.107418D+00  0.550303D+00 -0.413138D+00  0.915723D+00  0.328720D+00
      3   0.550303D+00  0.894012D+00  0.206235D+01  0.328720D+00  0.231106D+00
               181           182           183           184           185 
      1   0.117320D+02  0.824200D+00  0.754252D+00  0.668879D+01  0.124182D+01
      2   0.824200D+00  0.104731D+02  0.880520D+00  0.124182D+01 -0.484458D+01
      3   0.754252D+00  0.880520D+00  0.165431D+01 -0.583029D-01 -0.118634D+01
               186           187           188           189           190 
      1  -0.583029D-01  0.137503D+01 -0.918541D+00  0.476799D+01  0.339607D+02
      2  -0.118634D+01 -0.918541D+00 -0.670025D+00  0.288750D+01  0.247459D+01
      3   0.706237D+00  0.476799D+01  0.288750D+01  0.248730D+01  0.278724D+01
               191           192           193           194           195 
      1   0.247459D+01  0.278724D+01  0.162188D+02  0.361118D+00  0.374529D+00
      2   0.540279D+01  0.646445D+00  0.361118D+00  0.130616D+02  0.153255D+01
      3   0.646445D+00  0.301151D+01  0.374529D+00  0.153255D+01  0.573562D+00
               196           197           198           199           200 
      1   0.535497D+01 -0.921479D+00  0.677643D+01 -0.363914D+02 -0.510305D+01
      2  -0.921479D+00  0.258714D+01  0.124547D+01 -0.510305D+01 -0.752103D+01
      3   0.677643D+01  0.124547D+01  0.214902D+01 -0.410172D+01 -0.100476D+01
               201           202           203           204           205 
      1  -0.410172D+01 -0.193515D+02 -0.459177D+00 -0.182274D+01 -0.792971D+01
      2  -0.100476D+01 -0.459177D+00 -0.577177D+01  0.107264D+00 -0.270806D+00
      3  -0.293016D+00 -0.182274D+01  0.107264D+00 -0.212104D+01 -0.611263D+00
               206           207           208           209           210 
      1  -0.270806D+00 -0.611263D+00 -0.576803D+01  0.942169D+00 -0.633144D+00
      2  -0.577201D+00 -0.377453D+01  0.942169D+00 -0.176429D+01 -0.359610D+00
      3  -0.377453D+01 -0.178137D+01 -0.633144D+00 -0.359610D+00 -0.140842D+00
               211           212           213           214           215 
      1   0.141725D+01  0.157841D+01  0.553046D+00 -0.475682D+00  0.247744D+00
      2   0.157841D+01  0.191300D+01  0.608989D+00  0.247744D+00 -0.334396D-01
      3   0.553046D+00  0.608989D+00 -0.715286D+00  0.483416D+00  0.480945D+00
               216           217           218           219           220 
      1   0.483416D+00 -0.161652D+01 -0.187432D+01 -0.648674D+00 -0.363004D+01
      2   0.480945D+00 -0.187432D+01  0.287461D+01 -0.463032D+00 -0.642015D-01
      3   0.133479D+00 -0.648674D+00 -0.463032D+00  0.138328D+01 -0.996837D+00
               221           222           223           224           225 
      1  -0.642015D-01 -0.996837D+00 -0.650469D+00 -0.561405D+00 -0.123209D+01
      2  -0.453827D+00 -0.169857D+01 -0.561405D+00 -0.109004D+01  0.338447D+01
      3  -0.169857D+01  0.484933D+01 -0.123209D+01  0.338447D+01  0.226121D+01
               226           227           228           229           230 
      1  -0.110682D+01  0.148650D+01  0.123624D+00  0.554139D+00 -0.143659D+01
      2   0.148650D+01 -0.282033D+01 -0.262032D+00 -0.143659D+01  0.938348D+01
      3   0.123624D+00 -0.262032D+00 -0.289283D+00 -0.309673D+00  0.118051D+01
               231           232           233           234           235 
      1  -0.309673D+00 -0.809956D-01 -0.158901D+00  0.183673D+00  0.575061D+01
      2   0.118051D+01 -0.158901D+00  0.129743D+01  0.384045D+00  0.393772D+01
      3   0.101238D+01  0.183673D+00  0.384045D+00  0.262657D+00  0.130101D+01
               236           237           238           239           240 
      1   0.393772D+01  0.130101D+01  0.461016D+01  0.492735D+01  0.132901D+01
      2   0.370882D+01  0.948378D+00  0.492735D+01  0.649245D+01  0.149151D+01
      3   0.948378D+00  0.886155D+00  0.132901D+01  0.149151D+01  0.123319D+01
               241           242           243           244           245 
      1   0.162728D+01  0.139239D+01  0.539871D-01  0.154561D+01 -0.225357D+01
      2   0.139239D+01  0.152699D+01  0.628108D+00 -0.225357D+01  0.143840D+01
      3   0.539871D-01  0.628108D+00  0.329133D+00 -0.254091D+00 -0.319576D-01
               246           247           248           249           250 
      1  -0.254091D+00 -0.358102D+01  0.316841D+01  0.259678D+00 -0.490696D+00
      2  -0.319576D-01  0.316841D+01 -0.591098D+01 -0.649112D+00  0.277836D+00
      3   0.118318D+00  0.259678D+00 -0.649112D+00 -0.699519D+00  0.839579D-01
               251           252           253           254           255 
      1   0.277836D+00  0.839579D-01  0.152106D+02 -0.447718D+00  0.138364D+01
      2  -0.943787D+00 -0.134720D-01 -0.447718D+00  0.970407D+00 -0.404442D-01
      3  -0.134720D-01 -0.559178D-01  0.138364D+01 -0.404442D-01  0.130263D+01
               256           257           258           259           260 
      1   0.199816D+01  0.106962D+01  0.166730D+00  0.190542D+01 -0.756572D-01
      2   0.106962D+01  0.416584D+00  0.265154D+00 -0.756572D-01  0.314611D+00
      3   0.166730D+00  0.265154D+00  0.287228D-01  0.164031D+01 -0.326481D+00
               261           262           263           264           265 
      1   0.164031D+01  0.463898D-01  0.234915D+00 -0.816325D+00 -0.504295D+00
      2  -0.326481D+00  0.234915D+00 -0.217855D+00  0.218371D+00  0.126528D+01
      3   0.384583D+00 -0.816325D+00  0.218371D+00 -0.521558D+00  0.104666D+01
               266           267           268           269           270 
      1   0.126528D+01  0.104666D+01 -0.409214D+01  0.193730D+01  0.252810D+01
      2  -0.164045D+01 -0.135985D+01  0.193730D+01 -0.184404D+01 -0.211032D+01
      3  -0.135985D+01 -0.200370D+01  0.252810D+01 -0.211032D+01 -0.560267D+01
               271           272           273           274           275 
      1  -0.121552D+01  0.410535D+00  0.553233D+00 -0.120175D+01  0.170779D+01
      2   0.410535D+00 -0.904540D+00  0.607634D+00  0.170779D+01 -0.378017D+01
      3   0.553233D+00  0.607634D+00 -0.121217D+01 -0.760639D+00  0.249032D+01
               276           277           278           279 
      1  -0.760639D+00  0.264481D+01 -0.135958D+01  0.135142D+01
      2   0.249032D+01 -0.135958D+01  0.253793D+01 -0.257713D+01
      3  -0.262894D+01  0.135142D+01 -0.257713D+01  0.349125D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.389455D+01 -0.328869D+01  0.121455D+00 -0.748299D+01 -0.652961D+01
      2  -0.817590D+01 -0.415027D+01 -0.112383D+01  0.112358D+02  0.211971D+00
      3  -0.280063D+02  0.222460D+02  0.765348D+00  0.377124D+02  0.182621D+02
                 6             7             8             9            10 
      1  -0.183014D+01  0.309438D+01  0.650756D+01  0.127483D+01 -0.112870D+01
      2  -0.146217D+00 -0.173310D+02 -0.252902D+01 -0.240130D+01  0.199195D+02
      3   0.604224D+01  0.197315D+01  0.729679D+01  0.488812D-01 -0.251546D+01
                11            12            13            14            15 
      1  -0.574506D+01 -0.798849D+00 -0.431495D+01 -0.205862D+01 -0.464777D-01
      2  -0.113268D+01 -0.315918D+01 -0.179944D+02 -0.581101D+01 -0.310697D+01
      3   0.266860D+02  0.302774D+01  0.436637D+02  0.250396D+02  0.865266D+01
                16            17            18            19            20 
      1   0.316041D+01  0.739543D+01  0.196219D+01 -0.518199D+01  0.802029D+00
      2  -0.207065D+02 -0.293863D+01 -0.269214D+01  0.146752D+02  0.648724D+01
      3   0.523931D+01  0.857814D+01  0.213449D+01  0.306396D+02 -0.187890D+02
                21            22            23            24            25 
      1  -0.511415D+00 -0.660671D+00 -0.323555D+01 -0.244159D+01  0.707347D+01
      2   0.891643D+00  0.130875D+02  0.226860D+01 -0.939038D+00 -0.153125D+02
      3   0.510089D+00  0.936937D+01  0.176558D+01  0.225548D+00 -0.577937D+00
                26            27            28            29            30 
      1   0.230799D+01 -0.226657D+01 -0.231017D+00 -0.128972D+01 -0.358110D+00
      2  -0.692991D+01 -0.313449D+01 -0.255343D+02 -0.420488D+01  0.485090D+00
      3  -0.430060D+01  0.195649D+01 -0.545239D+01  0.661779D+01  0.834950D+00
                31            32            33            34            35 
      1  -0.612970D+01  0.287795D+01  0.264334D+01 -0.191959D+01  0.139213D+02
      2  -0.626501D+01  0.193770D+01  0.616541D+00 -0.135353D+02 -0.343259D+00
      3   0.217242D+02 -0.315676D+01 -0.368896D+01  0.185573D+01  0.584089D+00
                36            37            38            39            40 
      1   0.352708D+01 -0.118076D+01  0.489150D+01 -0.254239D+01  0.442611D+01
      2  -0.639988D+00 -0.170949D+01  0.245079D+00  0.138973D+01 -0.415522D+01
      3  -0.186926D+01  0.192381D+02 -0.311106D+01 -0.811239D+00  0.192750D+01
                41            42            43            44            45 
      1  -0.363515D+01 -0.193714D+01 -0.151183D+02  0.453117D+01 -0.110251D+01
      2  -0.463976D+01  0.810919D+00 -0.110045D+02  0.678142D+01 -0.955286D+00
      3   0.795933D+01  0.325831D+01 -0.596693D+00  0.221042D+01  0.569805D+01
                46            47            48            49            50 
      1   0.228105D+01 -0.362880D+00  0.328455D+01  0.472177D+00  0.392179D+01
      2   0.807011D+01  0.304602D+01  0.218381D+01  0.324000D+01  0.307718D+01
      3  -0.318148D+02 -0.244537D+02 -0.519465D+01 -0.789964D+01 -0.209456D+02
                51            52            53            54            55 
      1  -0.241715D+01  0.107912D+02 -0.268265D+01  0.304009D+01  0.230851D+01
      2   0.120004D+01 -0.159921D+02 -0.336861D-01  0.281715D+00  0.437143D+01
      3  -0.379037D+01 -0.740584D+01 -0.585278D+01 -0.718154D+01 -0.250912D+02
                56            57            58            59            60 
      1   0.405627D+01  0.505159D+01 -0.142603D+01  0.365332D+01 -0.190431D+01
      2   0.555184D+00 -0.320881D+01  0.370375D+01  0.244435D+01  0.344896D+01
      3  -0.121120D+02 -0.284157D+01 -0.841825D+00 -0.207891D+02 -0.773246D+00
                61            62            63            64            65 
      1   0.101931D+02 -0.220360D+01  0.127774D+01  0.693161D+00 -0.879908D+00
      2  -0.212164D+02  0.456134D+01  0.523453D+00  0.110867D+01  0.135623D-01
      3  -0.440588D+01 -0.252198D+01 -0.134695D+02 -0.432907D+01  0.203732D+01
                66            67            68            69            70 
      1   0.121545D+01  0.251506D+00 -0.148544D+01 -0.349550D+01  0.413005D+00
      2   0.298711D+00  0.405122D+00 -0.104247D+01 -0.151583D+01 -0.178055D+01
      3  -0.910060D+00  0.589980D+01  0.364001D+01  0.882432D+00 -0.634787D+00
                71            72            73            74            75 
      1   0.169203D+01  0.238201D+00  0.282143D+00  0.121591D+01 -0.204315D+01
      2   0.971073D+00  0.332038D-01 -0.338823D+01 -0.124084D+01  0.111170D+01
      3   0.110822D+01 -0.974243D+00  0.715533D+01  0.161248D+00  0.708523D+00
                76            77            78            79            80 
      1   0.120500D+01  0.257296D+01 -0.280707D+01  0.304469D+01  0.197625D+01
      2  -0.167152D+01 -0.123889D+01  0.194581D+01 -0.295865D+01 -0.403203D+00
      3   0.210640D+01 -0.231096D+01 -0.643277D-02  0.161484D+01 -0.259388D+00
                81            82            83            84            85 
      1   0.111341D+00  0.129743D+01 -0.174201D+01  0.143121D+01 -0.519091D+00
      2   0.738287D+00  0.142817D+01 -0.123857D+01  0.784369D+00 -0.114882D+01
      3  -0.998857D+00 -0.573325D+01  0.264779D+01  0.184591D+00  0.543114D+01
                86            87            88            89            90 
      1   0.378938D+01 -0.378514D+01 -0.147885D+01  0.255765D+01 -0.483876D+00
      2   0.176380D+01 -0.974461D+00 -0.395370D+00 -0.462463D+00 -0.429259D+00
      3  -0.336707D+01 -0.994999D+00 -0.224116D+00 -0.800614D+00  0.883974D+00
                91            92            93            94            95 
      1  -0.793445D+00 -0.142888D+01  0.421843D+00  0.143049D+01  0.273553D+00
      2   0.192829D+02  0.379042D+01 -0.866896D+01  0.325865D+01 -0.723264D+01
      3   0.524579D+01 -0.373556D+00 -0.110729D+01  0.170502D+02 -0.653192D+01
                96            97            98            99           100 
      1  -0.290149D+01 -0.726005D-01  0.372991D+01 -0.360011D+01 -0.186967D+01
      2  -0.398352D+01 -0.358495D+02 -0.797496D+01  0.362968D+01  0.194742D+01
      3   0.118409D+02 -0.258271D+01  0.102274D+02  0.780960D+01  0.143885D+02
               101           102           103           104           105 
      1   0.280556D+01  0.230427D+01  0.905228D+00  0.306972D+01  0.580145D+01
      2  -0.480084D+01  0.154565D+02 -0.150493D+01  0.764195D+01  0.797673D+01
      3  -0.157492D+02  0.837536D+01 -0.940753D+01  0.613276D-01 -0.121076D+02
               106           107           108           109           110 
      1  -0.722811D+00  0.987893D+01 -0.545934D-01  0.480892D+01  0.169011D+01
      2   0.709022D+01  0.122334D+02 -0.119591D+02 -0.191253D+02 -0.393484D+01
      3   0.621511D+01 -0.765686D+01 -0.159894D+02 -0.223591D+01  0.142521D+02
               111           112           113           114           115 
      1   0.531478D+01  0.108721D+02  0.529143D+01 -0.148693D+02  0.371128D+01
      2   0.136743D+01 -0.173652D+01 -0.958373D+00 -0.371533D+01  0.181048D+02
      3   0.973191D+00  0.122701D+02  0.107228D+02 -0.211555D+01  0.451986D+01
               116           117           118           119           120 
      1  -0.375790D+01 -0.235108D+01  0.575676D+00  0.116533D+01  0.234698D+00
      2  -0.492817D+00 -0.116321D+00  0.307632D+01  0.442295D+00  0.531100D+01
      3  -0.357514D+01 -0.201854D+01 -0.670933D+01 -0.538377D+01 -0.156624D+01
               121           122           123           124           125 
      1   0.259533D+00  0.223098D+01  0.303271D+00 -0.905987D-02  0.270352D+01
      2  -0.110079D+01  0.507536D+01  0.638754D+01  0.470607D+01  0.531913D+01
      3  -0.258731D+01 -0.875094D+01 -0.701072D+01 -0.114614D+01 -0.804099D+01
               126           127           128           129           130 
      1   0.781827D+00  0.888820D+00 -0.145146D+01 -0.219063D+01 -0.254553D+00
      2   0.991827D+01  0.692983D+01  0.349789D+01 -0.890047D+01  0.641817D+00
      3  -0.685079D+01  0.358870D+01  0.527851D+01 -0.602917D+01  0.325959D+01
               131           132           133           134           135 
      1  -0.336033D+00 -0.231048D+01 -0.142300D+01  0.124824D+01  0.610313D+01
      2   0.461509D+01 -0.644805D+01 -0.578085D+01 -0.922204D+01  0.239846D+02
      3   0.562407D+01 -0.530675D+01 -0.292520D+01 -0.733636D+01  0.124806D+02
               136           137           138           139           140 
      1  -0.207491D+01 -0.702703D+00 -0.160461D+01  0.659969D-01 -0.718567D+01
      2  -0.276500D+01  0.833874D+00 -0.168797D+01  0.926276D+00 -0.616049D+01
      3   0.523842D+01  0.330945D+01  0.155990D+01  0.270519D+01  0.166985D+02
               141           142           143           144           145 
      1  -0.697684D+01 -0.103068D+00 -0.477662D+01 -0.701784D+01  0.469526D+00
      2  -0.639166D+01 -0.139721D+01 -0.625498D+01 -0.723690D+01 -0.632316D+01
      3   0.702499D+01  0.166914D+01  0.113259D+02  0.842441D+01 -0.840573D+01
               146           147           148           149           150 
      1   0.167722D+01  0.181409D+01  0.102293D+01 -0.156458D+00 -0.113104D+01
      2   0.835952D-01  0.589086D+01  0.581378D+00 -0.168507D+01 -0.176848D+00
      3  -0.631356D+01 -0.464960D+00 -0.155580D+01 -0.519110D+00  0.130289D+01
               151           152           153           154           155 
      1   0.122083D+01 -0.279738D+00  0.321871D+00 -0.353146D+01 -0.153221D+01
      2   0.261464D+01 -0.158343D+01  0.236795D+01  0.928162D+01  0.272710D+00
      3  -0.136118D+01  0.813157D+00  0.545498D+00 -0.539297D+01 -0.247365D+02
               156           157           158           159           160 
      1  -0.553599D+01 -0.790564D+01 -0.331007D+01 -0.155998D+00 -0.291058D+01
      2   0.222451D+02 -0.180739D+01  0.128461D+01  0.619532D+01  0.791319D+01
      3   0.109757D+01 -0.158942D+02 -0.150479D+02  0.145276D+01  0.245261D+00
               161           162           163           164           165 
      1   0.265664D+01  0.355714D+00 -0.561269D+01 -0.239301D+01  0.607100D+00
      2   0.391152D+01 -0.160512D+01  0.819921D+01  0.370229D+01  0.123406D+01
      3   0.252431D+01 -0.213322D+01 -0.549738D+01 -0.333310D+01 -0.128913D+00
               166           167           168           169           170 
      1  -0.497079D+01 -0.551681D+00  0.424235D+01  0.168753D+01  0.734366D+01
      2   0.378692D+01 -0.502728D+01  0.139696D+01 -0.997410D+01  0.861095D+00
      3   0.116819D+01 -0.100824D+00  0.561780D+01 -0.177089D+01  0.255167D+01
               171           172           173           174           175 
      1   0.285464D+01  0.660756D+01  0.232271D+01 -0.137305D+01  0.606549D+01
      2  -0.215220D+02 -0.194284D+02 -0.245776D+01 -0.540562D+01 -0.440152D+01
      3  -0.576816D+00  0.321549D+01  0.181717D+01 -0.107912D+01  0.508827D+01
               176           177           178           179           180 
      1   0.823425D+00 -0.267139D+01 -0.148442D+01 -0.106384D+01  0.609461D+00
      2  -0.234096D+01 -0.164148D+01 -0.565741D+00  0.310688D+00 -0.163175D+01
      3   0.166256D+00  0.408479D+00 -0.164753D+01 -0.840457D+00  0.602394D+00
               181           182           183           184           185 
      1  -0.411923D+00 -0.162364D+01 -0.447292D+01  0.355758D+01 -0.245360D+01
      2  -0.115376D+01  0.115226D+01  0.537148D+01  0.290935D+01 -0.725836D+01
      3   0.221248D+02 -0.130186D+02  0.233716D+00 -0.540782D+01  0.253413D+02
               186           187           188           189           190 
      1  -0.166724D+01 -0.156672D+02  0.527304D+01 -0.274344D+01 -0.172215D+01
      2   0.596424D+00  0.169521D+00  0.100463D+02  0.400730D+01  0.992313D+01
      3   0.400576D+01 -0.355963D+00  0.525705D+01  0.282766D+01  0.870095D+01
               191           192           193           194           195 
      1  -0.579094D+01 -0.170970D+01 -0.658528D+01 -0.442590D+01  0.211932D+01
      2  -0.283399D+01 -0.186988D+00 -0.233354D+01  0.488592D+01  0.115987D+01
      3   0.192884D+02  0.435328D+01  0.455054D+02 -0.216279D+02  0.170481D+01
               196           197           198           199           200 
      1   0.114431D+01  0.121782D+02  0.280405D+01 -0.119883D+00  0.410517D+01
      2   0.163014D+01  0.294621D+01  0.332288D+01 -0.139165D+02  0.129739D+01
      3   0.983134D+01  0.123991D+01 -0.101544D+01  0.811048D+01 -0.171649D+02
               201           202           203           204           205 
      1   0.606316D+00  0.101866D+01  0.186526D+01 -0.247188D+01  0.345133D+01
      2   0.266713D+01 -0.116295D+01  0.249682D+01 -0.343311D+01 -0.208460D+02
      3  -0.218095D+01 -0.938759D+01  0.765667D+00 -0.336235D+01 -0.464598D+01
               206           207           208           209           210 
      1   0.372904D+01  0.853755D+00  0.174506D+01  0.524924D+01  0.155424D+01
      2  -0.134919D+02 -0.631646D+01  0.280820D+00  0.439861D+01  0.116765D+02
      3  -0.560601D+01  0.625226D+01 -0.147874D+02 -0.363065D+02 -0.594935D+01
               211           212           213           214           215 
      1   0.591838D+00  0.142201D+01 -0.565117D+01 -0.273897D+01  0.213488D+00
      2   0.150866D+01  0.206209D+01 -0.581048D+01 -0.393586D+01  0.496139D+01
      3   0.166451D+01 -0.715363D+01 -0.233223D+01 -0.249312D+01 -0.489202D+01
               216           217           218           219           220 
      1  -0.123746D+01 -0.231438D+01 -0.117212D+01  0.137790D+01  0.951154D+00
      2   0.108792D+01 -0.651935D+01 -0.314465D+01  0.728537D+01 -0.366580D+01
      3  -0.265458D+01  0.307055D+02 -0.105857D+02  0.700211D+01 -0.207037D+01
               221           222           223           224           225 
      1  -0.675123D+00  0.705085D+01 -0.983182D+01  0.848818D+01  0.427152D+01
      2  -0.642669D+01  0.289656D+02 -0.670938D+01  0.194499D+02  0.140300D+02
      3  -0.169214D+02  0.779214D+01  0.482958D+01  0.555256D+01 -0.245367D+02
               226           227           228           229           230 
      1   0.478335D+00 -0.575977D+00  0.165351D+01  0.401488D+00  0.649878D-01
      2   0.102915D+01 -0.922964D+00  0.167599D+00 -0.114958D+01  0.308278D+01
      3  -0.811017D+01  0.734007D+01  0.431777D+00  0.673673D+01 -0.197458D+02
               231           232           233           234           235 
      1  -0.449678D+01 -0.116750D+01  0.192643D+01 -0.613252D+00 -0.128828D+01
      2   0.702462D+00  0.224429D+00  0.482300D+00  0.746409D-01  0.173195D+01
      3  -0.305430D+01  0.719537D-01 -0.253561D+01  0.272074D+00  0.401329D+00
               236           237           238           239           240 
      1  -0.116917D+00 -0.258392D+01 -0.843219D+00  0.100862D+00 -0.354632D+01
      2   0.161245D+01  0.353325D+01  0.252965D+01  0.306702D+01  0.476670D+01
      3  -0.570359D+01 -0.479446D+00 -0.581302D+01 -0.133372D+02 -0.235513D+01
               241           242           243           244           245 
      1   0.244355D+01  0.918725D+00 -0.339124D+00  0.297702D+00 -0.497973D+00
      2  -0.216851D+01  0.178027D+01  0.136603D+01  0.155523D+00 -0.606184D+00
      3  -0.869662D+00 -0.246622D+01 -0.214792D+01  0.249107D+01 -0.241406D+01
               246           247           248           249           250 
      1   0.810242D+00 -0.626967D+00  0.329017D+00 -0.292631D+01  0.223188D+00
      2   0.486411D+00 -0.605989D+00 -0.141712D+01 -0.248397D+01 -0.130938D+01
      3   0.997920D-01 -0.680154D+00  0.145901D+02  0.205711D+01 -0.133260D-01
               251           252           253           254           255 
      1   0.146255D+01 -0.100680D+00  0.135593D+01  0.590168D+00  0.131932D+01
      2   0.101073D+01 -0.887481D-01  0.503461D+01  0.617581D-01  0.956015D+01
      3   0.289616D+01 -0.314236D+00 -0.121179D+02 -0.868688D+01 -0.146632D+01
               256           257           258           259           260 
      1   0.232372D+00  0.472864D+00 -0.666837D+00  0.178624D+01  0.730435D-01
      2   0.486415D+00  0.128293D+01  0.233767D+00  0.752906D+01 -0.168768D+01
      3  -0.603889D+01 -0.363563D+01 -0.169856D+01 -0.137125D+01 -0.230800D+01
               261           262           263           264           265 
      1   0.133819D+00 -0.642308D+00  0.143169D+00 -0.112970D+01  0.709414D+00
      2   0.194083D+01 -0.616595D+01  0.112073D+01 -0.243891D+01  0.519363D+01
      3   0.116806D+01 -0.445821D+00  0.293425D+01  0.378316D+00 -0.417419D+01
               266           267           268           269           270 
      1  -0.178351D+01 -0.382166D+01  0.373553D+01 -0.105057D+01 -0.902749D+01
      2  -0.770836D+01 -0.116360D+02  0.890787D+01 -0.122299D+02 -0.315928D+02
      3   0.122573D+02  0.861828D+01 -0.656764D+01  0.125405D+02  0.150814D+02
               271           272           273           274           275 
      1   0.119185D+00 -0.120297D+00 -0.226813D+01 -0.417887D+00  0.749971D+00
      2   0.545860D+01  0.236809D+01 -0.569887D+01 -0.279100D+01  0.117493D+02
      3   0.118171D+01  0.756017D+01 -0.463994D+01 -0.468846D+01  0.252711D+02
               276           277           278           279 
      1  -0.414965D+01  0.169304D+01 -0.838660D+00  0.472971D+01
      2  -0.140007D+02  0.304358D+01 -0.132720D+02  0.173150D+02
      3  -0.145900D+02  0.353056D+01 -0.157133D+02  0.165452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715209D+02 -0.325221D+02 -0.110832D+02  0.805861D+02  0.432801D+00
      2   0.377551D+02  0.201746D+02  0.796945D+01 -0.358338D+02  0.102188D+02
      3   0.337659D+02  0.123475D+02  0.311376D+01 -0.447523D+02 -0.106516D+02
      4  -0.872646D+01  0.149697D+02  0.283708D+01  0.110777D+02  0.225104D+02
      5  -0.930477D+01  0.875967D+00 -0.261615D+01  0.355288D+00  0.173507D+01
      6  -0.134626D+01  0.447435D+01  0.399778D+00 -0.193440D+01 -0.278257D-01
                 6             7             8             9            10 
      1   0.105347D+02  0.496361D+01 -0.171896D+01 -0.935419D+01  0.870520D+02
      2  -0.181496D+01  0.517133D+00  0.383723D+01 -0.623148D+00 -0.345495D+02
      3  -0.871978D+01 -0.548074D+01 -0.211827D+01  0.997734D+01 -0.525024D+02
      4   0.521351D+01  0.914725D+00  0.457288D+01  0.269490D+01 -0.254919D+02
      5  -0.198381D+01 -0.749093D+00  0.140014D+01 -0.324523D+01  0.425433D+01
      6   0.602786D-02 -0.276295D+01  0.395904D+01 -0.273166D+01 -0.329742D+00
                11            12            13            14            15 
      1  -0.162729D+02  0.725325D+01 -0.813501D+02 -0.290090D+02 -0.124858D+02
      2   0.132877D+02 -0.395283D+00  0.314625D+02  0.174892D+02  0.764625D+01
      3   0.298513D+01 -0.685796D+01  0.498877D+02  0.115198D+02  0.483959D+01
      4   0.136372D+02  0.209855D+01 -0.298836D+02 -0.177828D+02 -0.488000D+01
      5   0.343767D+01 -0.820983D+01 -0.368352D+01 -0.971015D+00 -0.412270D-01
      6   0.133190D+01  0.132309D+00 -0.181638D+01  0.454763D+01 -0.116890D+00
                16            17            18            19            20 
      1  -0.308769D+01 -0.603800D+01 -0.615122D+01  0.373089D+02  0.388987D+02
      2   0.330264D+01  0.397817D+01 -0.239124D+01 -0.187989D+02 -0.261931D+02
      3  -0.214941D+00  0.205984D+01  0.854246D+01 -0.185100D+02 -0.127056D+02
      4  -0.859893D+01 -0.125571D+01 -0.400967D+01  0.143446D+02 -0.185400D+02
      5   0.229565D+01 -0.165148D+01 -0.352192D+01  0.723242D+01  0.180889D+01
      6  -0.233779D+01  0.397777D+01 -0.135195D+01  0.276898D+01 -0.901505D+01
                21            22            23            24            25 
      1   0.138758D+02 -0.131927D+02  0.198494D+02  0.935438D+01  0.226709D+01
      2  -0.789234D+01  0.204332D+02 -0.221393D+02 -0.562354D+01  0.459678D+01
      3  -0.598344D+01 -0.724052D+01  0.228989D+01 -0.373084D+01 -0.686386D+01
      4  -0.601260D+00  0.110030D+02 -0.180639D+01  0.201557D+01  0.824335D+01
      5  -0.259730D+00  0.446689D+01  0.283769D+01 -0.466940D+01  0.867298D+01
      6  -0.132903D+01  0.668720D+01 -0.102687D+02  0.402138D+01  0.591304D+00
                26            27            28            29            30 
      1   0.173891D+02 -0.536664D+01  0.237996D+02  0.687301D+01 -0.692362D+01
      2  -0.112362D+02 -0.389757D+01 -0.288024D+02 -0.293011D+01  0.264843D+01
      3  -0.615297D+01  0.926421D+01  0.500281D+01 -0.394290D+01  0.427519D+01
      4   0.861363D+00 -0.482714D+01  0.115759D+02  0.118611D+02  0.177588D+01
      5  -0.780446D+01 -0.512221D+01 -0.596582D+01  0.217666D+01  0.668043D+01
      6   0.883130D+01 -0.385329D+01 -0.525139D+01  0.320853D+01  0.131403D+01
                31            32            33            34            35 
      1  -0.212198D+02 -0.543105D+02 -0.124368D+02 -0.136636D+02 -0.120658D+02
      2   0.141866D+02  0.442610D+02  0.132200D+02 -0.789389D+00  0.910823D+01
      3   0.703318D+01  0.100495D+02 -0.783268D+00  0.144530D+02  0.295757D+01
      4  -0.356053D+02  0.160370D+02  0.372098D+01 -0.114729D+02  0.495887D+01
      5  -0.136727D+02 -0.137610D+00 -0.280014D+00  0.216920D+02  0.480948D+01
      6  -0.433050D+01  0.152531D+02  0.520445D+00 -0.121879D+01  0.687839D+01
                36            37            38            39            40 
      1  -0.717155D+01 -0.117633D+02 -0.604324D+02 -0.128395D+02  0.270655D+02
      2  -0.683147D+01  0.554185D+01  0.434051D+02  0.562560D+01 -0.245074D+02
      3   0.140030D+02  0.622147D+01  0.170274D+02  0.721394D+01 -0.255811D+01
      4   0.173257D+01 -0.253789D+02 -0.710059D-02 -0.466237D+01  0.218682D+02
      5   0.304324D+01 -0.101636D+01 -0.759706D+01  0.579242D+00  0.810614D+00
      6  -0.189139D+01 -0.626292D+01  0.875666D+01  0.722856D+01 -0.542973D+01
                41            42            43            44            45 
      1   0.310730D+02  0.758032D+01 -0.175350D+01 -0.538984D+01 -0.170534D+02
      2  -0.274201D+02 -0.800450D+01 -0.117494D+02 -0.406367D+01 -0.101377D+01
      3  -0.365289D+01  0.424183D+00  0.135029D+02  0.945351D+01  0.180672D+02
      4  -0.204859D+02 -0.592736D+01 -0.917051D+01 -0.736888D+01  0.535593D+01
      5  -0.400566D+01  0.462318D+01  0.123909D+02  0.475433D+01  0.612000D+01
      6  -0.128084D+02 -0.794551D+00  0.153121D+02  0.104808D+02  0.785729D+01
                46            47            48            49            50 
      1   0.170408D+02  0.503970D+02  0.152945D+02 -0.125975D+02  0.858652D+01
      2  -0.115646D+02 -0.325876D+02 -0.583896D+01  0.112445D+02 -0.129541D+02
      3  -0.547625D+01 -0.178093D+02 -0.945552D+01  0.135302D+01  0.436758D+01
      4   0.270274D+02 -0.122372D+02  0.355951D+00  0.165651D+02  0.101810D+02
      5  -0.485886D+01 -0.122123D+00  0.142502D+01 -0.452243D+00  0.217152D+01
      6   0.205809D+01 -0.116581D+02 -0.835610D+01  0.486650D+01 -0.746245D+01
                51            52            53            54            55 
      1   0.392964D+01  0.227381D+01  0.104503D+02 -0.186709D+02 -0.226337D+02
      2  -0.602320D+01  0.251067D+01 -0.178385D+02  0.663226D+01  0.397131D+01
      3   0.209356D+01 -0.478449D+01  0.738817D+01  0.120387D+02  0.186624D+02
      4   0.408647D+01  0.654095D+01 -0.128879D+01 -0.397738D+01 -0.835035D+01
      5   0.327168D+00  0.466526D+01 -0.177143D+01 -0.497807D+01  0.405716D+01
      6   0.460587D+01 -0.555278D+01  0.166962D+02  0.462017D+01  0.137021D+01
                56            57            58            59            60 
      1   0.368266D+02  0.735710D+01 -0.545526D+01  0.157114D+02  0.646966D+01
      2  -0.311861D+02 -0.422864D+01  0.603998D+01 -0.177988D+02 -0.656251D+01
      3  -0.564051D+01 -0.312846D+01 -0.584722D+00  0.208745D+01  0.928574D-01
      4  -0.516599D+02 -0.874752D+01  0.132015D+02  0.780017D+01 -0.421569D+00
      5  -0.492677D+01 -0.598448D+01  0.461301D+01 -0.660820D+00  0.449306D+01
      6  -0.698672D+01 -0.827644D+01  0.377334D+01 -0.786504D+01  0.523759D+01
                61            62            63            64            65 
      1  -0.855338D+00  0.112198D+02 -0.252901D+02  0.514923D+01 -0.203324D+00
      2   0.158857D+01 -0.162583D+02  0.116680D+02 -0.602446D-01 -0.218951D+01
      3  -0.733233D+00  0.503852D+01  0.136221D+02 -0.508898D+01  0.239284D+01
      4   0.111627D+01 -0.113160D+02  0.596542D+01 -0.114826D+02  0.100701D+02
      5  -0.140230D+01  0.109936D+02 -0.508534D+00  0.449741D+01 -0.139559D+01
      6  -0.593245D+01  0.203237D+02  0.143083D+01 -0.286211D+01  0.166554D+01
                66            67            68            69            70 
      1   0.199221D+01  0.335624D+01 -0.185224D+02 -0.114122D+01  0.377150D+01
      2  -0.116489D+01 -0.799247D+01  0.256521D+02  0.965243D+00 -0.292788D+01
      3  -0.827318D+00  0.463623D+01 -0.712971D+01  0.175973D+00 -0.843617D+00
      4  -0.929529D+00  0.137330D+02 -0.188991D+02 -0.730108D+00  0.224949D+00
      5   0.179022D+01 -0.807714D+00 -0.636854D+00 -0.244151D+01  0.112514D+01
      6  -0.138427D+01  0.161498D+01 -0.203759D+01  0.461480D+01 -0.220882D+01
                71            72            73            74            75 
      1  -0.339240D+01 -0.189488D+01  0.125818D+01 -0.490834D+01 -0.205465D+01
      2   0.348483D+01  0.242005D+01  0.490265D+01  0.101059D+02  0.147042D+01
      3  -0.924269D-01 -0.525165D+00 -0.616083D+01 -0.519756D+01  0.584235D+00
      4  -0.214536D+01 -0.122591D+01  0.212040D+02  0.197256D+02  0.539082D+01
      5  -0.138973D+00  0.907722D-01  0.808904D+01  0.571159D+01  0.506716D+01
      6   0.152395D+01  0.885968D+00  0.724544D+01  0.730212D+01  0.477623D+01
                76            77            78            79            80 
      1  -0.894919D+01 -0.198340D+02 -0.633561D+01 -0.588256D+00 -0.409595D+01
      2   0.151860D+02  0.285023D+02  0.523529D+01  0.375496D+01  0.506361D+01
      3  -0.623685D+01 -0.866826D+01  0.110033D+01 -0.316671D+01 -0.967657D+00
      4   0.226812D+02  0.281215D+02  0.676937D+01  0.695660D+01  0.670314D+01
      5   0.657468D+01  0.709905D+01  0.508676D+01  0.210688D+01  0.337079D+01
      6   0.981796D+01  0.140185D+02  0.889822D+01  0.129114D+01  0.518011D+01
                81            82            83            84            85 
      1  -0.174357D+01 -0.459823D+01  0.937652D+01  0.100751D+01  0.793925D+01
      2   0.210936D+01  0.762115D+01 -0.138777D+02 -0.992913D+00 -0.102654D+02
      3  -0.365794D+00 -0.302292D+01  0.450115D+01 -0.145988D-01  0.232611D+01
      4   0.408261D+01 -0.747178D+01  0.142269D+02  0.201563D+01  0.952081D+01
      5   0.224795D+01 -0.248389D+01  0.352620D+01  0.264554D+01  0.255013D+01
      6   0.321098D+01  0.251096D+01 -0.336958D+01 -0.267126D+01 -0.358840D+01
                86            87            88            89            90 
      1  -0.426579D+02 -0.737281D+01  0.814964D+00 -0.637589D+01 -0.242650D+01
      2   0.561049D+02  0.667746D+01 -0.155626D+01  0.741327D+01  0.249218D+01
      3  -0.134470D+02  0.695358D+00  0.741294D+00 -0.103738D+01 -0.656761D-01
      4  -0.197708D+02 -0.303912D+01  0.150625D+01 -0.128950D+01 -0.211399D+01
      5  -0.617731D+01 -0.270473D+01  0.132259D+01 -0.233181D+01 -0.673233D+00
      6   0.150979D+02  0.927428D+01  0.140665D-01  0.531792D+01  0.236881D+01
                91            92            93            94            95 
      1  -0.307140D+02 -0.163166D+02  0.109621D+02 -0.111421D+02 -0.295144D+01
      2   0.249501D+02  0.139596D+02 -0.574882D+01  0.113613D+02  0.294814D+01
      3   0.576388D+01  0.235698D+01 -0.521330D+01 -0.219266D+00  0.329657D-02
      4  -0.186400D+02 -0.145970D+02  0.270928D+01 -0.233685D+02  0.121070D+02
      5   0.132032D+02  0.223513D+01 -0.213090D+02 -0.836849D+00 -0.247153D+02
      6   0.990082D+00 -0.485921D+01 -0.379201D+00 -0.645559D+01  0.188108D+01
                96            97            98            99           100 
      1  -0.217130D+01  0.276770D+02  0.541978D+01 -0.168217D+02 -0.625809D+02
      2   0.577587D+01 -0.193693D+02  0.392568D+00  0.122459D+02  0.366917D+02
      3  -0.360456D+01 -0.830775D+01 -0.581235D+01  0.457585D+01  0.258892D+02
      4  -0.251558D+02  0.607280D+01 -0.191255D+02 -0.140420D+02  0.191726D+02
      5  -0.697092D+01 -0.375144D+02 -0.146088D+02 -0.277103D+01 -0.285275D+02
      6  -0.890432D+01 -0.699511D+01 -0.319004D+01 -0.676133D+01  0.426695D+01
               101           102           103           104           105 
      1   0.191680D+02 -0.269681D+02 -0.153350D+01  0.979226D+01 -0.231081D+01
      2  -0.137691D+02  0.844355D+01 -0.310493D+01 -0.653161D+01 -0.138900D+02
      3  -0.539889D+01  0.185245D+02  0.463843D+01 -0.326065D+01  0.162008D+02
      4   0.163418D+02 -0.409859D+01  0.204473D+02 -0.147005D+02  0.252704D+02
      5  -0.530822D+01  0.190050D+02 -0.735424D+01  0.257090D+02  0.941948D+01
      6   0.607639D+01 -0.114898D+02  0.844672D+01 -0.109460D+02 -0.358606D+01
               106           107           108           109           110 
      1  -0.190442D+02 -0.635587D+01  0.336299D+02 -0.904098D+02 -0.175404D+02
      2   0.893957D+01 -0.107642D+02 -0.158240D+02  0.341027D+02 -0.378143D-01
      3   0.101046D+02  0.171201D+02 -0.178059D+02  0.563071D+02  0.175782D+02
      4  -0.525797D+01  0.160154D+02  0.146607D+02 -0.332003D+02 -0.261437D+02
      5   0.120527D+02  0.184783D+02 -0.110015D+02  0.131218D+02  0.699627D+01
      6  -0.625552D+01 -0.878720D+01  0.137451D+02  0.167350D+01  0.190545D+01
               111           112           113           114           115 
      1   0.760083D+01 -0.190504D+02 -0.106517D+02  0.324309D+01 -0.373198D+02
      2  -0.122747D+01  0.377473D+01  0.586122D+01 -0.622803D+00  0.277211D+02
      3  -0.637336D+01  0.152756D+02  0.479049D+01 -0.262029D+01  0.959869D+01
      4   0.494444D+01  0.440945D+01 -0.131474D+02  0.211597D+01 -0.446978D+01
      5  -0.100915D+02  0.399011D+01  0.325160D+01 -0.174284D+01  0.304163D+02
      6  -0.276090D+01  0.400584D+01  0.949559D+00  0.279135D+01  0.955367D+01
               116           117           118           119           120 
      1  -0.324545D+01  0.256745D+02  0.114715D+02  0.767900D+01  0.531885D+01
      2   0.432174D+01 -0.722915D+01 -0.908784D+01 -0.547957D+01 -0.502411D+01
      3  -0.107629D+01 -0.184454D+02 -0.238364D+01 -0.219944D+01 -0.294742D+00
      4   0.109663D+01  0.625319D+01  0.139961D+02  0.115179D+02  0.454608D+01
      5   0.628244D+01 -0.126206D+01  0.139869D+02  0.543992D+01  0.155812D+02
      6  -0.150267D+01  0.980766D+00  0.530586D+01  0.290806D+01  0.313695D+01
               121           122           123           124           125 
      1   0.165963D+02  0.694945D+00 -0.903829D+00  0.772747D+01 -0.142898D+01
      2  -0.107510D+02 -0.562286D+00 -0.237586D+01 -0.819344D+01 -0.311920D+01
      3  -0.584533D+01 -0.132659D+00  0.327969D+01  0.465976D+00  0.454819D+01
      4   0.154144D+02  0.186587D+02  0.153424D+02  0.607943D+01  0.154412D+02
      5   0.108509D+02  0.156434D+02  0.150115D+02  0.215819D+02  0.133905D+02
      6   0.468964D+01  0.933386D+01  0.971757D+01  0.498582D+01  0.839624D+01
               126           127           128           129           130 
      1  -0.671810D+00 -0.585028D+01 -0.965152D+01  0.191338D+02 -0.194708D+01
      2  -0.963437D+01  0.300581D+00  0.584903D+01 -0.425292D+01  0.958055D+00
      3   0.103062D+02  0.554969D+01  0.380249D+01 -0.148808D+02  0.989030D+00
      4   0.134737D+02  0.705385D+00 -0.637391D+01  0.257333D+01  0.542956D+00
      5   0.279853D+02  0.397588D+01  0.457239D+01 -0.930747D+01 -0.602249D+00
      6   0.950161D+01 -0.349551D+01 -0.626945D+01  0.999209D+01 -0.131164D+01
               131           132           133           134           135 
      1  -0.117730D+02  0.105928D+02  0.127432D+02  0.132901D+02 -0.349335D+02
      2   0.714460D+01 -0.399790D+01 -0.507200D+01 -0.384154D+01 -0.104099D+01
      3   0.462837D+01 -0.659487D+01 -0.767115D+01 -0.944854D+01  0.359745D+02
      4  -0.692671D+01  0.579661D+01 -0.683904D+01  0.123252D+02 -0.142615D+02
      5   0.558667D+01 -0.968910D+01  0.544975D+01 -0.169922D+02  0.389445D+02
      6  -0.854935D+01  0.128500D+02  0.169513D+00  0.159231D+02 -0.271214D+02
               136           137           138           139           140 
      1   0.830619D+00 -0.696482D+01 -0.164514D+01 -0.716541D+01 -0.129888D+02
      2   0.184548D+01  0.578824D+01  0.234858D+01  0.167909D+01  0.260326D+02
      3  -0.267610D+01  0.117659D+01 -0.703432D+00  0.548632D+01 -0.130438D+02
      4  -0.248626D+01 -0.221090D+01  0.185446D+01  0.876789D+01 -0.284814D+02
      5  -0.282108D+01  0.153722D+00 -0.369626D+01 -0.152677D+00 -0.121241D+02
      6   0.216635D+01 -0.873003D+00  0.275511D+01 -0.421321D+00  0.365971D+01
               141           142           143           144           145 
      1  -0.399582D+01 -0.699757D+01 -0.410234D+01 -0.868377D+01  0.100769D+03
      2   0.111773D+02  0.221738D+01  0.139638D+02  0.987875D+01 -0.533752D+02
      3  -0.718146D+01  0.478019D+01 -0.986144D+01 -0.119498D+01 -0.473937D+02
      4  -0.109533D+02  0.102050D+02 -0.218069D+02 -0.101377D+02 -0.428111D+02
      5  -0.124442D+02 -0.958251D+00 -0.113195D+02 -0.152031D+02  0.384025D+02
      6   0.759777D+01  0.836561D+00  0.592414D+01  0.739437D+01 -0.847417D+01
               146           147           148           149           150 
      1  -0.148112D+02  0.149984D+02 -0.333914D+01  0.746516D+01 -0.125841D+00
      2   0.445225D+01 -0.107830D+02 -0.134081D+01 -0.239434D+01  0.471036D+00
      3   0.103590D+02 -0.421540D+01  0.467995D+01 -0.507083D+01 -0.345195D+00
      4   0.203477D+02 -0.848217D+01  0.122349D+02 -0.406353D+01 -0.338134D-01
      5  -0.784830D+01  0.193365D+02 -0.299449D+00  0.134802D+01 -0.360731D+00
      6   0.463901D+01 -0.499737D+01  0.281871D+01 -0.989703D-01  0.185039D+01
               151           152           153           154           155 
      1   0.107867D+02 -0.797127D+00  0.671148D+01  0.192464D+03  0.323791D+02
      2  -0.863026D+01  0.209101D+01 -0.587837D+01 -0.879339D+02 -0.881355D+01
      3  -0.215645D+01 -0.129388D+01 -0.833114D+00 -0.104530D+03 -0.235655D+02
      4  -0.394479D+01  0.370168D+00 -0.548783D+01  0.522233D+02  0.474601D+02
      5   0.171265D+02 -0.457572D+01  0.991962D+01 -0.335613D+02 -0.916616D+01
      6  -0.362143D+01  0.280027D+01 -0.315301D+01 -0.142729D+01 -0.409268D+01
               156           157           158           159           160 
      1  -0.835543D+01  0.306802D+02  0.341458D+02 -0.130617D+00 -0.937828D+01
      2   0.901896D+01 -0.624616D+01 -0.771171D+01  0.667303D+00  0.934486D+01
      3  -0.663528D+00 -0.244340D+02 -0.264341D+02 -0.536686D+00  0.334215D-01
      4  -0.655463D+01  0.538563D+02  0.373417D+02 -0.435813D+01 -0.542532D+01
      5   0.392546D+02 -0.555570D+01 -0.808963D+01  0.895936D+01  0.371839D+02
      6   0.356193D+01 -0.828965D+01 -0.474820D+01  0.626914D+01  0.442550D+01
               161           162           163           164           165 
      1  -0.115006D+01  0.210702D+02  0.532763D+02  0.100106D+02 -0.181791D+02
      2   0.119432D+01 -0.142273D+02 -0.354249D+02 -0.434531D+01  0.111261D+02
      3  -0.442649D-01 -0.684288D+01 -0.178514D+02 -0.566532D+01  0.705303D+01
      4  -0.309983D+01  0.888387D+01  0.156538D+02  0.756950D+01 -0.113612D+01
      5   0.884874D+01 -0.974194D+01 -0.329663D+02 -0.152823D+01  0.190005D+02
      6   0.558378D+01 -0.219945D+01 -0.572809D+01 -0.789180D+00  0.958718D+00
               166           167           168           169           170 
      1   0.155228D+02 -0.885124D+01  0.101733D+01  0.443270D+01  0.326102D+01
      2  -0.899490D+01  0.258477D+01 -0.100754D+01  0.847471D-01 -0.209288D+01
      3  -0.652788D+01  0.626647D+01 -0.979662D-02 -0.451745D+01 -0.116814D+01
      4   0.534909D+01 -0.147257D+01 -0.906202D+01  0.228359D+01 -0.458597D+01
      5  -0.632194D+01 -0.870058D+01  0.136942D+01  0.109707D+02  0.571489D+00
      6  -0.263066D+01 -0.197324D+01  0.113851D+02 -0.144281D+01  0.999702D+01
               171           172           173           174           175 
      1  -0.328798D+02 -0.503185D+02 -0.497720D+01 -0.214340D+01 -0.131277D+02
      2  -0.106696D+02  0.306629D+02  0.292476D+01 -0.718139D+01  0.922137D+01
      3   0.435494D+02  0.196556D+02  0.205244D+01  0.932479D+01  0.390629D+01
      4  -0.160403D+01 -0.112305D+02 -0.466933D+01  0.115797D+01 -0.190330D+01
      5  -0.373191D+02  0.257237D+02  0.182015D+01 -0.167477D+02  0.647941D+01
      6  -0.211727D+01  0.480033D+01  0.325299D+01 -0.140341D+01  0.174332D+01
               176           177           178           179           180 
      1  -0.452869D+01 -0.137715D+00  0.123217D+02  0.187319D+01 -0.831657D+01
      2   0.280021D+01 -0.241755D+01 -0.113776D+02 -0.161438D+01  0.457791D+01
      3   0.172848D+01  0.255527D+01 -0.944061D+00 -0.258814D+00  0.373866D+01
      4  -0.700931D+00 -0.198426D+01  0.513291D+01  0.857179D+00 -0.180349D+01
      5  -0.155224D+01 -0.496164D+01 -0.108030D+02 -0.105797D+01  0.382599D+01
      6   0.129108D+01  0.211933D+01 -0.183605D+01  0.416442D+00  0.140712D+01
               181           182           183           184           185 
      1   0.323729D+02 -0.523050D+02 -0.671730D+01  0.401045D+02  0.237065D+02
      2  -0.153905D+02  0.427341D+02  0.372722D+01 -0.282485D+02 -0.233514D+02
      3  -0.169824D+02  0.957093D+01  0.299008D+01 -0.118560D+02 -0.355102D+00
      4  -0.896941D+01  0.369717D+02 -0.692435D+00  0.119177D+02 -0.313428D+02
      5  -0.816343D+01 -0.272300D+01  0.809716D+01 -0.123582D+01 -0.107138D+02
      6  -0.616461D+01  0.856334D+00  0.697415D+01 -0.688877D+01 -0.928157D+01
               186           187           188           189           190 
      1   0.608423D+01  0.509406D+01 -0.632065D+01  0.206458D+01  0.120405D+03
      2  -0.639564D+01 -0.128607D+02 -0.183775D+01 -0.783611D+01 -0.637875D+02
      3   0.311411D+00  0.776663D+01  0.815841D+01  0.577153D+01 -0.566178D+02
      4  -0.967137D+01 -0.105634D+02 -0.103894D+02  0.205637D+02  0.156676D+01
      5   0.403993D+01  0.301803D+02  0.170626D+02  0.105346D+02  0.103329D+01
      6   0.124087D+01  0.212568D+02  0.131356D+02  0.555429D+01 -0.266219D+01
               191           192           193           194           195 
      1   0.109057D+02  0.108215D+02  0.561424D+02 -0.441445D+02 -0.665082D+01
      2   0.177375D+01 -0.310454D+01 -0.220952D+02  0.437458D+02  0.106409D+02
      3  -0.126795D+02 -0.771697D+01 -0.340471D+02  0.398709D+00 -0.399004D+01
      4   0.134626D+02  0.175628D+01 -0.436259D+02  0.577726D+02  0.409052D+01
      5   0.289089D+01  0.250792D+01 -0.117868D+02  0.760189D+01  0.257031D+01
      6   0.831932D-01  0.283919D+01 -0.350380D+01  0.803027D+01 -0.287072D+01
               196           197           198           199           200 
      1   0.125264D+02 -0.120172D+02  0.223442D+02 -0.105918D+03  0.186986D+02
      2  -0.717771D+01  0.108337D+02 -0.191070D+02  0.431794D+02 -0.192200D+02
      3  -0.534866D+01  0.118347D+01 -0.323726D+01  0.627384D+02  0.521393D+00
      4  -0.165274D+02  0.920523D+01  0.348361D+01  0.252091D+02 -0.284443D+02
      5   0.448742D+02  0.941945D+01  0.817941D+01 -0.587027D+01 -0.247840D+01
      6   0.177578D+01  0.512783D+01 -0.263239D+01  0.206389D+01 -0.438889D+01
               201           202           203           204           205 
      1  -0.555938D+01 -0.910167D+02  0.127530D+02 -0.279301D+01 -0.275106D+02
      2   0.116219D+01  0.546815D+02 -0.197894D+02 -0.447751D+00  0.161202D+02
      3   0.439719D+01  0.363352D+02  0.703639D+01  0.324077D+01  0.113903D+02
      4  -0.799549D+00  0.218327D+02 -0.199433D+02  0.341410D+01  0.900302D+01
      5   0.630054D+01 -0.257499D+01  0.182091D+01 -0.848976D+01  0.341438D+01
      6  -0.120354D+01  0.597266D+01 -0.705015D+01  0.553459D+01 -0.178079D+01
               206           207           208           209           210 
      1   0.109779D+02 -0.150798D+02  0.206343D+02  0.606343D+01 -0.596016D+00
      2  -0.109666D+02 -0.236415D+01 -0.136474D+02 -0.461635D+01 -0.163524D+01
      3  -0.112457D-01  0.174439D+02 -0.698689D+01 -0.144708D+01  0.223125D+01
      4  -0.480113D+00 -0.175530D+02  0.162738D+02  0.114523D+02 -0.498466D+00
      5  -0.220524D+02 -0.120532D+02  0.563134D+01 -0.138684D+01  0.213991D+02
      6   0.911482D+01 -0.967938D+00  0.509771D+00  0.198633D+01 -0.255046D+01
               211           212           213           214           215 
      1   0.169776D+02  0.376229D+01  0.427692D+01  0.250876D+01 -0.516739D+00
      2  -0.860171D+01 -0.122792D+01 -0.454247D+01 -0.336090D+01 -0.147617D+01
      3  -0.837591D+01 -0.253436D+01  0.265546D+00  0.852146D+00  0.199291D+01
      4   0.264019D+02  0.195657D+02  0.590501D+01  0.324311D+01  0.241088D+01
      5   0.578756D+01  0.428981D+01 -0.108963D+02  0.142630D+02  0.546051D+01
      6   0.688688D+00 -0.108205D+01  0.960337D+01  0.123432D+01  0.389010D+01
               216           217           218           219           220 
      1   0.435505D+01 -0.752042D+02 -0.835339D+01 -0.159761D+02 -0.260658D+02
      2  -0.430702D+01  0.435724D+02  0.123292D+01  0.956476D+01  0.108849D+02
      3  -0.480373D-01  0.316318D+02  0.712047D+01  0.641133D+01  0.151809D+02
      4   0.652741D+01 -0.137984D+02  0.246118D+02 -0.376408D+01  0.130881D+01
      5   0.451263D+01 -0.153164D+02 -0.411214D+01  0.947896D+01 -0.897503D+01
      6   0.233443D+01  0.850867D+00  0.300432D+01 -0.369068D+01  0.578632D+00
               221           222           223           224           225 
      1   0.196644D+02 -0.150412D+02 -0.152601D+02 -0.915672D+01  0.133314D+02
      2  -0.111884D+02  0.114907D+02  0.599067D+01  0.795535D+01 -0.102589D+02
      3  -0.847603D+01  0.355054D+01  0.926939D+01  0.120137D+01 -0.307252D+01
      4   0.265363D+01 -0.137975D+02 -0.589918D+01 -0.830128D+01  0.342120D+02
      5  -0.138436D+02  0.554950D+02 -0.119990D+02  0.351721D+02  0.275650D+02
      6   0.677013D+01 -0.202569D+02  0.814201D+01 -0.143954D+02 -0.538590D+01
               226           227           228           229           230 
      1  -0.776043D+01  0.165327D+02  0.148204D+01  0.827140D+01 -0.503934D+02
      2   0.885188D+01 -0.186041D+02 -0.145090D+01 -0.902499D+01  0.638397D+02
      3  -0.109145D+01  0.207132D+01 -0.311405D-01  0.753593D+00 -0.134462D+02
      4  -0.219323D+01  0.472990D+01  0.769688D+00  0.291016D+01  0.123777D+02
      5  -0.782635D+00  0.133123D+01  0.100602D+01  0.276360D+00 -0.684319D+00
      6   0.750346D+00 -0.123820D+01 -0.248351D+01 -0.156138D+01  0.764888D+01
               231           232           233           234           235 
      1  -0.722388D+01  0.231926D+00 -0.681085D+01 -0.167986D+01  0.253045D+02
      2   0.699904D+01 -0.927564D+00  0.810276D+01  0.234575D+01 -0.349582D+01
      3   0.224838D+00  0.695638D+00 -0.129191D+01 -0.665883D+00 -0.218087D+02
      4   0.141149D+01 -0.841371D-01  0.267634D+01 -0.712246D+00  0.426780D+02
      5   0.139336D+01  0.206260D+01 -0.447871D+00  0.221365D+00  0.100202D+02
      6   0.821714D+01  0.563365D+00  0.405254D+01  0.185425D+01  0.610285D+01
               236           237           238           239           240 
      1   0.131492D+02  0.415774D+01  0.114749D+02  0.244253D+01  0.742581D+00
      2   0.369680D+01 -0.975452D+00  0.925423D+01  0.207297D+02  0.261485D+01
      3  -0.168460D+02 -0.318229D+01 -0.207291D+02 -0.231723D+02 -0.335743D+01
      4   0.372657D+02  0.943890D+01  0.447776D+02  0.545959D+02  0.120793D+02
      5   0.719831D+01  0.798112D+01  0.926831D+01  0.919451D+01  0.881642D+01
      6   0.524197D+01  0.487411D+01  0.764391D+01  0.942564D+01  0.792881D+01
               241           242           243           244           245 
      1   0.533575D+01  0.174392D+01 -0.620160D+00  0.599787D+01 -0.979389D+01
      2   0.124062D+01  0.304406D+01  0.181927D+01 -0.231770D+00  0.238913D+01
      3  -0.657637D+01 -0.478798D+01 -0.119911D+01 -0.576610D+01  0.740476D+01
      4   0.130551D+02  0.129627D+02  0.638693D+01 -0.165583D+02  0.144990D+02
      5   0.215207D+01  0.475159D+01  0.356290D+01 -0.250342D+01  0.115676D+01
      6   0.101579D+01  0.467738D+01  0.293985D+01  0.687188D+00 -0.128968D-01
               246           247           248           249           250 
      1  -0.119971D+01 -0.122999D+02 -0.307518D+01 -0.109169D+01 -0.162759D+01
      2   0.506225D+00 -0.162650D+00  0.155604D+02  0.825864D+00  0.461855D+00
      3   0.693481D+00  0.124625D+02 -0.124852D+02  0.265828D+00  0.116574D+01
      4   0.619910D+00  0.254792D+02 -0.382334D+02 -0.397797D+01  0.263388D+01
      5   0.148710D+01  0.342848D+01 -0.639350D+01 -0.504242D+01  0.119823D+01
      6  -0.737736D+00 -0.141428D+01  0.317097D+01  0.448467D+01 -0.197507D+01
               251           252           253           254           255 
      1  -0.174101D+01 -0.135332D+01  0.195543D+03 -0.316163D+01  0.169496D+02
      2   0.245024D+01  0.190908D+01 -0.102615D+03 -0.290387D+00 -0.989766D+01
      3  -0.709231D+00 -0.555756D+00 -0.929279D+02  0.345201D+01 -0.705196D+01
      4  -0.546014D+01 -0.786981D+00 -0.201229D+02  0.157577D+02 -0.180388D+01
      5  -0.130782D+00 -0.482625D+00  0.191420D+02 -0.417777D+00  0.192668D+02
      6   0.161513D+01  0.111458D+01 -0.312658D+01  0.755565D+00 -0.248888D+01
               256           257           258           259           260 
      1   0.224031D+02  0.144601D+02  0.258519D+01  0.222128D+02  0.434180D+00
      2  -0.139808D+02 -0.738841D+01 -0.203921D+01 -0.130290D+02 -0.892023D+00
      3  -0.842224D+01 -0.707169D+01 -0.545982D+00 -0.918389D+01  0.457843D+00
      4   0.157042D+02  0.423548D+01  0.310143D+01 -0.262326D+01  0.375063D+01
      5   0.175659D+01  0.334984D+01  0.759636D+00  0.234172D+02 -0.319605D+01
      6   0.501284D+00 -0.438802D+00  0.156339D+01 -0.258275D+01  0.237837D+01
               261           262           263           264           265 
      1   0.162011D+02  0.647163D+01 -0.231617D+01 -0.930227D+01 -0.414318D+01
      2  -0.961079D+01 -0.390925D+01  0.193690D+01  0.381343D+01  0.302387D+00
      3  -0.659033D+01 -0.256238D+01  0.379273D+00  0.548884D+01  0.384079D+01
      4  -0.424260D+01  0.131136D-01 -0.188055D+01  0.377334D+01  0.159365D+02
      5   0.538198D+01 -0.876307D+01  0.263466D+01 -0.247382D+01  0.121054D+02
      6  -0.549620D+00  0.254927D+01 -0.515277D+00  0.207232D+01 -0.419066D+01
               266           267           268           269           270 
      1   0.107519D+01  0.304975D+01 -0.325438D+02  0.849486D+01  0.155626D+01
      2   0.302167D+01  0.715683D+00  0.179089D+02 -0.235492D+01 -0.658061D+01
      3  -0.409686D+01 -0.376543D+01  0.146349D+02 -0.613994D+01  0.502436D+01
      4  -0.188979D+02 -0.151917D+02  0.247234D+02 -0.217187D+02 -0.228732D+02
      5  -0.154838D+02 -0.228448D+02  0.307936D+02 -0.235283D+02 -0.611903D+02
      6   0.609515D+01  0.103215D+02 -0.916402D+01  0.102979D+02  0.169104D+02
               271           272           273           274           275 
      1  -0.631359D+01 -0.515117D+01  0.118758D+02 -0.916309D+01 -0.665549D+01
      2   0.294391D+01  0.479142D+01 -0.589940D+01  0.175670D+01  0.134250D+02
      3   0.336968D+01  0.359756D+00 -0.597637D+01  0.740639D+01 -0.676951D+01
      4   0.372563D+01 -0.761625D+01  0.277631D+01  0.211178D+02 -0.388459D+02
      5   0.593724D+01  0.366751D+01 -0.936216D+01 -0.900178D+01  0.232510D+02
      6  -0.154009D+01 -0.338048D+01  0.518713D+01  0.532131D+01 -0.139118D+02
               276           277           278           279 
      1   0.713933D+01  0.216718D+02  0.241683D+01 -0.933019D+01
      2  -0.785957D+01 -0.954838D+01 -0.462739D+01  0.267243D+01
      3   0.720234D+00 -0.121235D+02  0.221056D+01  0.665776D+01
      4   0.242544D+02 -0.170588D+02  0.254243D+02 -0.246181D+02
      5  -0.268011D+02  0.156901D+02 -0.247010D+02  0.323423D+02
      6   0.137079D+02 -0.704344D+01  0.134738D+02 -0.147710D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.194534D+03      0.288270D+02      0.320744D+02
   aniso      0.159600D+03      0.236502D+02      0.263144D+02
   xx         0.293673D+03      0.435178D+02      0.484201D+02
   yx         0.845720D+01      0.125323D+01      0.139440D+01
   yy         0.172098D+03      0.255023D+02      0.283752D+02
   zx         0.154035D+02      0.228257D+01      0.253970D+01
   zy         0.862329D+01      0.127784D+01      0.142179D+01
   zz         0.117832D+03      0.174609D+02      0.194279D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.194534D+03      0.288270D+02      0.320744D+02
   aniso      0.159600D+03      0.236502D+02      0.263144D+02
   xx         0.147044D+03      0.217896D+02      0.242442D+02
   yx        -0.627835D+01     -0.930355D+00     -0.103516D+01
   yy         0.172344D+03      0.255387D+02      0.284156D+02
   zx         0.681372D+02      0.100969D+02      0.112343D+02
   zy        -0.263050D+01     -0.389800D+00     -0.433711D+00
   zz         0.264216D+03      0.391528D+02      0.435633D+02

 ----------------------------------------------------------------------
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 The most important thing in communication is to hear what isn't being said.
 -- Peter F. Drucker
 Job cpu time:       0 days  8 hours 55 minutes  7.6 seconds.
 Elapsed time:       0 days  1 hours  7 minutes  3.9 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 20:14:00 2021.
